3-(2-Methylpropyl)aniline | Drug Information, Uses, Side Effects, Pharma intermediate Chemistry | PharmaCompass.com

Please Wait

Applying Filters...

2D Structure

Also known as: 131826-11-4, 3-(2-methylpropyl)aniline, Benzenamine, 3-(2-methylpropyl)-, Mfcd11934360, 3-isobutylphenylamine, Schembl153431

Molecular Formula

C₁₀H₁₅N

Molecular Weight

149.23 g/mol

InChI Key

JSOMPMRZESLPSM-UHFFFAOYSA-N

1 2D Structure

2D Structure

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

3-(2-methylpropyl)aniline

2.1.2 InChI

InChI=1S/C10H15N/c1-8(2)6-9-4-3-5-10(11)7-9/h3-5,7-8H,6,11H2,1-2H3

2.1.3 InChI Key

JSOMPMRZESLPSM-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CC(C)CC1=CC(=CC=C1)N

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 131826-11-4

2. 3-(2-methylpropyl)aniline

3. Benzenamine, 3-(2-methylpropyl)-

4. Mfcd11934360

5. 3-isobutylphenylamine

6. Schembl153431

7. Dtxsid50597495

8. Akos013203004

9. Db-339405

10. Cs-0329032

11. O11024

2.3 Create Date

2007-12-04

3 Chemical and Physical Properties

Molecular Formula	C₁₀H₁₅N
Molecular Weight	149.23 g/mol
XLogP3	2.6
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	2
Exact Mass	g/mol
Monoisotopic Mass	g/mol
Topological Polar Surface Area	26
Heavy Atom Count	11
Formal Charge	0
Complexity	109
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

Contact us
to update this info