2-[[(2,3-dimethylcyclohexyl)amino]methyl]aniline

C15H24N2 — CID 66386630

IUPAC2-[[(2,3-dimethylcyclohexyl)amino]methyl]aniline
SMILESCC1CCCC(NCc2ccccc2N)C1C
InChIInChI=1S/C15H24N2/c1-11-6-5-9-15(12(11)2)17-10-13-7-3-4-8-14(13)16/h3-4,7-8,11-12,15,17H,5-6,9-10,16H2,1-2H3
InChIKeyHGPXNSYJXCHNQG-UHFFFAOYSA-N
MW232.37 g/mol
LogP3.18
Rot. Bonds3

About 2-[[(2,3-dimethylcyclohexyl)amino]methyl]aniline

2-[[(2,3-dimethylcyclohexyl)amino]methyl]aniline (PubChem CID 66386630) has the molecular formula C15H24N2 and a molecular weight of 232.37 g/mol. Its IUPAC name is 2-[[(2,3-dimethylcyclohexyl)amino]methyl]aniline.

Molecular Properties

Compound Name2-[[(2,3-dimethylcyclohexyl)amino]methyl]aniline
PubChem CID66386630
Molecular FormulaC15H24N2
Molecular Weight232.37 g/mol
Exact Mass232.19
IUPAC Name2-[[(2,3-dimethylcyclohexyl)amino]methyl]aniline
SMILESCC1CCCC(NCc2ccccc2N)C1C
InChIInChI=1S/C15H24N2/c1-11-6-5-9-15(12(11)2)17-10-13-7-3-4-8-14(13)16/h3-4,7-8,11-12,15,17H,5-6,9-10,16H2,1-2H3
InChIKeyHGPXNSYJXCHNQG-UHFFFAOYSA-N
XLogP3.18
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-[[(2,3-dimethylcyclohexyl)amino]methyl]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-[[2-(ethoxymethyl)phenyl]methyl]-2,3-dimethylcyclohexan-1-amine
CID 64762280
[2-[(2-aminophenyl)methylamino]cyclopentyl]methanol
CID 106359504
2-[[[2-(trifluoromethyl)cyclohexyl]amino]methyl]aniline
CID 66418811
N-[(2-bromophenyl)methyl]-2,3-dimethylcyclopentan-1-amine
CID 64909294
N-[(2-aminophenyl)methyl]cyclooctanamine
CID 66385631
2-methyl-N-[(2-methylphenyl)methyl]cyclohexan-1-amine
CID 43081283
(1S,2S,3R)-2,3-dimethyl-N-[(4-methylphenyl)methyl]cyclohexan-1-amine
CID 11923056
N-[(2-chlorophenyl)methyl]-2-methylcyclohexan-1-amine
CID 43079937
2,3-dimethyl-N-(2-methyl-2-phenylpropyl)cyclohexan-1-amine
CID 64762295
2-amino-N-(2,3-dimethylcyclohexyl)benzamide;hydrochloride
CID 119943682
N-[(3,5-dichlorophenyl)methyl]-2,3-dimethylcyclohexan-1-amine
CID 60788665
2-[[(3-methylcyclopentyl)amino]methyl]aniline
CID 114543904

Frequently Asked Questions

What is the IUPAC name of 2-[[(2,3-dimethylcyclohexyl)amino]methyl]aniline?
The IUPAC name of 2-[[(2,3-dimethylcyclohexyl)amino]methyl]aniline (CID 66386630) is 2-[[(2,3-dimethylcyclohexyl)amino]methyl]aniline.
What is the SMILES notation for 2-[[(2,3-dimethylcyclohexyl)amino]methyl]aniline?
The canonical SMILES for 2-[[(2,3-dimethylcyclohexyl)amino]methyl]aniline is CC1CCCC(NCc2ccccc2N)C1C.
What is the InChIKey of 2-[[(2,3-dimethylcyclohexyl)amino]methyl]aniline?
The InChIKey is HGPXNSYJXCHNQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2/c1-11-6-5-9-15(12(11)2)17-10-13-7-3-4-8-14(13)16/h3-4,7-8,11-12,15,17H,5-6,9-10,16H2,1-2H3.
What are the key properties of 2-[[(2,3-dimethylcyclohexyl)amino]methyl]aniline?
2-[[(2,3-dimethylcyclohexyl)amino]methyl]aniline has a molecular weight of 232.37 g/mol, XLogP of 3.18, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2,3-dimethylcyclohexyl)amino]methyl]aniline is sourced from PubChem (CID 66386630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).