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Overview

Client Email Product
1-Chloro-N-methyl-1-phenyl-2-propanamine
PharmaCompass
1-Chloro-N-methyl-1-phenyl-2-propanamine
Also known as: 25394-33-6, Ctk8h8466
Molecular Formula
C10H14ClN
Molecular Weight
183.68  g/mol
InChI Key
HZCQDJZPLJOGQS-UHFFFAOYSA-N

1 2D Structure

1-Chloro-N-methyl-1-phenyl-2-propanamine

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
1-chloro-N-methyl-1-phenylpropan-2-amine
2.1.2 InChI
InChI=1S/C10H14ClN/c1-8(12-2)10(11)9-6-4-3-5-7-9/h3-8,10,12H,1-2H3
2.1.3 InChI Key
HZCQDJZPLJOGQS-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CC(C(C1=CC=CC=C1)Cl)NC
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 25394-33-6

2. Ctk8h8466

2.3 Create Date
2007-02-08
3 Chemical and Physical Properties
Molecular Weight 183.68 g/mol
Molecular Formula C10H14ClN
XLogP32.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count3
Exact Mass183.081477 g/mol
Monoisotopic Mass183.081477 g/mol
Topological Polar Surface Area12
Heavy Atom Count12
Formal Charge0
Complexity121
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count2
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1
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