2-chloro-N-[cyclohexyl(phenyl)methyl]pyridin-3-amine

C18H21ClN2 — CID 43689725

IUPAC2-chloro-N-[cyclohexyl(phenyl)methyl]pyridin-3-amine
SMILESClc1ncccc1NC(c1ccccc1)C1CCCCC1
InChIInChI=1S/C18H21ClN2/c19-18-16(12-7-13-20-18)21-17(14-8-3-1-4-9-14)15-10-5-2-6-11-15/h1,3-4,7-9,12-13,15,17,21H,2,5-6,10-11H2
InChIKeyZWWOMMOUSCFHHO-UHFFFAOYSA-N
MW300.83 g/mol
LogP5.47
Rot. Bonds4

About 2-chloro-N-[cyclohexyl(phenyl)methyl]pyridin-3-amine

2-chloro-N-[cyclohexyl(phenyl)methyl]pyridin-3-amine (PubChem CID 43689725) has the molecular formula C18H21ClN2 and a molecular weight of 300.83 g/mol. Its IUPAC name is 2-chloro-N-[cyclohexyl(phenyl)methyl]pyridin-3-amine.

Molecular Properties

Compound Name2-chloro-N-[cyclohexyl(phenyl)methyl]pyridin-3-amine
PubChem CID43689725
Molecular FormulaC18H21ClN2
Molecular Weight300.83 g/mol
Exact Mass300.14
IUPAC Name2-chloro-N-[cyclohexyl(phenyl)methyl]pyridin-3-amine
SMILESClc1ncccc1NC(c1ccccc1)C1CCCCC1
InChIInChI=1S/C18H21ClN2/c19-18-16(12-7-13-20-18)21-17(14-8-3-1-4-9-14)15-10-5-2-6-11-15/h1,3-4,7-9,12-13,15,17,21H,2,5-6,10-11H2
InChIKeyZWWOMMOUSCFHHO-UHFFFAOYSA-N
XLogP5.47
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500300.83
LogP ≤ 55.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 2-chloro-N-[cyclohexyl(phenyl)methyl]pyridin-3-amine 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-[cyclohexyl(phenyl)methyl]-2-methylpyridin-3-amine
CID 79042914
2-chloro-N-(1-cyclopentylethyl)pyridin-3-amine
CID 62633166
N-[cyclohexyl(phenyl)methyl]-2-fluoroaniline
CID 43094793
N-[cyclopropyl(phenyl)methyl]-2-propan-2-yloxypyridin-3-amine
CID 63454223
N-[cyclohexyl(phenyl)methyl]-1,3,4-thiadiazol-2-amine
CID 107648731
N-[cyclobutyl(phenyl)methyl]-4-methoxypyrimidin-2-amine
CID 133286329
N-[cyclohexyl(phenyl)methyl]-1-methylpiperidin-3-amine
CID 61212536
N-[cyclopropyl(phenyl)methyl]-2-(trifluoromethyl)aniline
CID 63418971
1-(2-chloro-3-pyridinyl)-3-cyclopentylthiourea
CID 19686507
1-cyclohexyl-N-methyl-1-pyridin-3-ylmethanamine
CID 60817955
2-chloro-N-[cyclopropyl(phenyl)methyl]-4-iodoaniline
CID 55199390
4-bromo-2-chloro-N-[cyclopropyl(phenyl)methyl]aniline
CID 55197692

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[cyclohexyl(phenyl)methyl]pyridin-3-amine?
The IUPAC name of 2-chloro-N-[cyclohexyl(phenyl)methyl]pyridin-3-amine (CID 43689725) is 2-chloro-N-[cyclohexyl(phenyl)methyl]pyridin-3-amine.
What is the SMILES notation for 2-chloro-N-[cyclohexyl(phenyl)methyl]pyridin-3-amine?
The canonical SMILES for 2-chloro-N-[cyclohexyl(phenyl)methyl]pyridin-3-amine is Clc1ncccc1NC(c1ccccc1)C1CCCCC1.
What is the InChIKey of 2-chloro-N-[cyclohexyl(phenyl)methyl]pyridin-3-amine?
The InChIKey is ZWWOMMOUSCFHHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2/c19-18-16(12-7-13-20-18)21-17(14-8-3-1-4-9-14)15-10-5-2-6-11-15/h1,3-4,7-9,12-13,15,17,21H,2,5-6,10-11H2.
What are the key properties of 2-chloro-N-[cyclohexyl(phenyl)methyl]pyridin-3-amine?
2-chloro-N-[cyclohexyl(phenyl)methyl]pyridin-3-amine has a molecular weight of 300.83 g/mol, XLogP of 5.47, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[cyclohexyl(phenyl)methyl]pyridin-3-amine is sourced from PubChem (CID 43689725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).