3-(1-aminopropyl)-4-methylaniline

C10H16N2 — CID 130000361

IUPAC3-(1-aminopropyl)-4-methylaniline
SMILESCCC(N)c1cc(N)ccc1C
InChIInChI=1S/C10H16N2/c1-3-10(12)9-6-8(11)5-4-7(9)2/h4-6,10H,3,11-12H2,1-2H3
InChIKeyWMIGJYAFHSVZES-UHFFFAOYSA-N
MW164.25 g/mol
LogP1.99
Rot. Bonds2

About 3-(1-aminopropyl)-4-methylaniline

3-(1-aminopropyl)-4-methylaniline (PubChem CID 130000361) has the molecular formula C10H16N2 and a molecular weight of 164.25 g/mol. Its IUPAC name is 3-(1-aminopropyl)-4-methylaniline.

Molecular Properties

Compound Name3-(1-aminopropyl)-4-methylaniline
PubChem CID130000361
Molecular FormulaC10H16N2
Molecular Weight164.25 g/mol
Exact Mass164.13
IUPAC Name3-(1-aminopropyl)-4-methylaniline
SMILESCCC(N)c1cc(N)ccc1C
InChIInChI=1S/C10H16N2/c1-3-10(12)9-6-8(11)5-4-7(9)2/h4-6,10H,3,11-12H2,1-2H3
InChIKeyWMIGJYAFHSVZES-UHFFFAOYSA-N
XLogP1.99
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

(1R)-1-(2-methyl-5-propan-2-ylphenyl)propan-1-amine
CID 55296635
(1R)-1-(5-bromo-2-methylphenyl)propan-1-amine
CID 96840213
(1R)-1-(5-bromo-2-methylphenyl)propan-1-amine;hydrochloride
CID 171203844
1-(5-fluoro-2-methylphenyl)propan-1-amine;hydrochloride
CID 138110336
[3-[(1S)-1-aminopropyl]-4-methylphenyl]methanol
CID 130674225
5-amino-2-[(1R)-1-aminopropyl]phenol
CID 130738459
4-[(1R)-1-aminopropyl]-3-bromoaniline
CID 131173181
4-amino-2-(1-aminopropyl)benzoic acid
CID 130001366
4-[(1S)-1-aminopropyl]-3-methoxyaniline
CID 130731352
(1R)-1-(2,4-dimethylphenyl)propan-1-amine
CID 7176017
1-(4-amino-2-methylphenyl)-2-ethylbutan-1-ol
CID 163762352
(1S)-1-(4-chloro-2,5-dimethylphenyl)propan-1-amine
CID 82758328

Frequently Asked Questions

What is the IUPAC name of 3-(1-aminopropyl)-4-methylaniline?
The IUPAC name of 3-(1-aminopropyl)-4-methylaniline (CID 130000361) is 3-(1-aminopropyl)-4-methylaniline.
What is the SMILES notation for 3-(1-aminopropyl)-4-methylaniline?
The canonical SMILES for 3-(1-aminopropyl)-4-methylaniline is CCC(N)c1cc(N)ccc1C.
What is the InChIKey of 3-(1-aminopropyl)-4-methylaniline?
The InChIKey is WMIGJYAFHSVZES-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2/c1-3-10(12)9-6-8(11)5-4-7(9)2/h4-6,10H,3,11-12H2,1-2H3.
What are the key properties of 3-(1-aminopropyl)-4-methylaniline?
3-(1-aminopropyl)-4-methylaniline has a molecular weight of 164.25 g/mol, XLogP of 1.99, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-aminopropyl)-4-methylaniline is sourced from PubChem (CID 130000361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).