N-[3-(3-methylphenyl)propyl]aniline

C16H19N — CID 62365007

IUPACN-[3-(3-methylphenyl)propyl]aniline
SMILESCc1cccc(CCCNc2ccccc2)c1
InChIInChI=1S/C16H19N/c1-14-7-5-8-15(13-14)9-6-12-17-16-10-3-2-4-11-16/h2-5,7-8,10-11,13,17H,6,9,12H2,1H3
InChIKeyQNLMLTWRRLBSQL-UHFFFAOYSA-N
MW225.34 g/mol
LogP4.04
Rot. Bonds5

About N-[3-(3-methylphenyl)propyl]aniline

N-[3-(3-methylphenyl)propyl]aniline (PubChem CID 62365007) has the molecular formula C16H19N and a molecular weight of 225.34 g/mol. Its IUPAC name is N-[3-(3-methylphenyl)propyl]aniline.

Molecular Properties

Compound NameN-[3-(3-methylphenyl)propyl]aniline
PubChem CID62365007
Molecular FormulaC16H19N
Molecular Weight225.34 g/mol
Exact Mass225.15
IUPAC NameN-[3-(3-methylphenyl)propyl]aniline
SMILESCc1cccc(CCCNc2ccccc2)c1
InChIInChI=1S/C16H19N/c1-14-7-5-8-15(13-14)9-6-12-17-16-10-3-2-4-11-16/h2-5,7-8,10-11,13,17H,6,9,12H2,1H3
InChIKeyQNLMLTWRRLBSQL-UHFFFAOYSA-N
XLogP4.04
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-[3-(3-methylphenyl)propyl]aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[3-(3-fluorophenyl)propyl]aniline
CID 90949937
4-fluoro-N-[2-(3-methylphenyl)ethyl]aniline
CID 22960583
1-methyl-3-[8-(3-methylphenyl)octyl]benzene
CID 22920080
N-[2-(3-methylphenyl)ethyl]pyridin-4-amine
CID 62315390
3-chloro-N-[2-(3-methylphenyl)ethyl]aniline
CID 68835949
4-N-(3-methylphenyl)-6-N-(3-phenylpropyl)pyrimidine-4,6-diamine
CID 112863578
4-(3-methylphenyl)-N-(3-phenylpropyl)butan-2-amine
CID 63420680
N-[3-(4-propylphenyl)propyl]aniline
CID 90752574
ethene;N-[(3-methylphenyl)methyl]aniline;molecular hydrogen
CID 168878317
3-(3-phenylpropylamino)phenol
CID 28722963
2-fluoro-5-methyl-N-(3-phenylpropyl)aniline
CID 28877675
N-[2-(3-methylphenyl)ethyl]-4-(trifluoromethyl)aniline
CID 63539979

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-methylphenyl)propyl]aniline?
The IUPAC name of N-[3-(3-methylphenyl)propyl]aniline (CID 62365007) is N-[3-(3-methylphenyl)propyl]aniline.
What is the SMILES notation for N-[3-(3-methylphenyl)propyl]aniline?
The canonical SMILES for N-[3-(3-methylphenyl)propyl]aniline is Cc1cccc(CCCNc2ccccc2)c1.
What is the InChIKey of N-[3-(3-methylphenyl)propyl]aniline?
The InChIKey is QNLMLTWRRLBSQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N/c1-14-7-5-8-15(13-14)9-6-12-17-16-10-3-2-4-11-16/h2-5,7-8,10-11,13,17H,6,9,12H2,1H3.
What are the key properties of N-[3-(3-methylphenyl)propyl]aniline?
N-[3-(3-methylphenyl)propyl]aniline has a molecular weight of 225.34 g/mol, XLogP of 4.04, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-methylphenyl)propyl]aniline is sourced from PubChem (CID 62365007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).