N,N-Dimethyl-3-[(2R,5R)-5-phenyl-2-propan-2-yl-1,3-oxazolidin-3-yl]propan-1-amine manufacturers and suppliers on PharmaCompass

Chemistry

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Also known as: Zinc2090580
Molecular Formula
C17H28N2O
Molecular Weight
276.4  g/mol
InChI Key
PBFNXZXJUZGFQH-DLBZAZTESA-N

N,N-Dimethyl-3-[(2R,5R)-5-phenyl-2-propan-2-yl-1,3-oxazolidin-3-yl]propan-1-amine
1 2D Structure

N,N-Dimethyl-3-[(2R,5R)-5-phenyl-2-propan-2-yl-1,3-oxazolidin-3-yl]propan-1-amine

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
N,N-dimethyl-3-[(2R,5R)-5-phenyl-2-propan-2-yl-1,3-oxazolidin-3-yl]propan-1-amine
2.1.2 InChI
InChI=1S/C17H28N2O/c1-14(2)17-19(12-8-11-18(3)4)13-16(20-17)15-9-6-5-7-10-15/h5-7,9-10,14,16-17H,8,11-13H2,1-4H3/t16-,17+/m0/s1
2.1.3 InChI Key
PBFNXZXJUZGFQH-DLBZAZTESA-N
2.1.4 Canonical SMILES
CC(C)C1N(CC(O1)C2=CC=CC=C2)CCCN(C)C
2.1.5 Isomeric SMILES
CC(C)[C@@H]1N(C[C@H](O1)C2=CC=CC=C2)CCCN(C)C
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. Zinc2090580

2.3 Create Date
2005-07-12
3 Chemical and Physical Properties
Molecular Weight 276.4 g/mol
Molecular Formula C17H28N2O
XLogP33.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count6
Exact Mass276.220163521 g/mol
Monoisotopic Mass276.220163521 g/mol
Topological Polar Surface Area15.7 Ų
Heavy Atom Count20
Formal Charge0
Complexity274
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1

BUILDING BLOCK

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