1-[2-[(3-chlorophenyl)methyl-methylamino]ethyl]cyclohexan-1-amine

C16H25ClN2 — CID 64679518

IUPAC1-[2-[(3-chlorophenyl)methyl-methylamino]ethyl]cyclohexan-1-amine
SMILESCN(CCC1(N)CCCCC1)Cc1cccc(Cl)c1
InChIInChI=1S/C16H25ClN2/c1-19(13-14-6-5-7-15(17)12-14)11-10-16(18)8-3-2-4-9-16/h5-7,12H,2-4,8-11,13,18H2,1H3
InChIKeyURGGXPDNTWEOII-UHFFFAOYSA-N
MW280.84 g/mol
LogP3.82
Rot. Bonds5

About 1-[2-[(3-chlorophenyl)methyl-methylamino]ethyl]cyclohexan-1-amine

1-[2-[(3-chlorophenyl)methyl-methylamino]ethyl]cyclohexan-1-amine (PubChem CID 64679518) has the molecular formula C16H25ClN2 and a molecular weight of 280.84 g/mol. Its IUPAC name is 1-[2-[(3-chlorophenyl)methyl-methylamino]ethyl]cyclohexan-1-amine.

Molecular Properties

Compound Name1-[2-[(3-chlorophenyl)methyl-methylamino]ethyl]cyclohexan-1-amine
PubChem CID64679518
Molecular FormulaC16H25ClN2
Molecular Weight280.84 g/mol
Exact Mass280.17
IUPAC Name1-[2-[(3-chlorophenyl)methyl-methylamino]ethyl]cyclohexan-1-amine
SMILESCN(CCC1(N)CCCCC1)Cc1cccc(Cl)c1
InChIInChI=1S/C16H25ClN2/c1-19(13-14-6-5-7-15(17)12-14)11-10-16(18)8-3-2-4-9-16/h5-7,12H,2-4,8-11,13,18H2,1H3
InChIKeyURGGXPDNTWEOII-UHFFFAOYSA-N
XLogP3.82
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.84
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[2-[(3-chlorophenyl)methyl-methylamino]ethyl]cyclohexan-1-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

1-[2-[methyl-[(3-methylphenyl)methyl]amino]ethyl]cyclohexan-1-amine
CID 64679512
1-[2-[(3-bromophenyl)methyl-methylamino]ethyl]cyclopentan-1-amine
CID 64679525
1-[2-[benzyl(methyl)amino]ethyl]cyclopentan-1-amine
CID 64678874
1-[2-[methyl(pyridin-3-ylmethyl)amino]ethyl]cyclopentan-1-amine
CID 64677725
N-[(3-chlorophenyl)methyl]-N',N'-diethyl-N-methylethane-1,2-diamine
CID 784062
2-(1-aminocyclopentyl)-N-[(3-chlorophenyl)methyl]-N-ethylacetamide
CID 64684681
1-[[methyl-[(3-methylphenyl)methyl]amino]methyl]cyclopentan-1-amine
CID 61411916
N'-[(3-chlorophenyl)methyl]-N,N'-dimethylpentane-1,5-diamine
CID 62428888
1-N-[(3-chlorophenyl)methyl]-1-N-methylbutane-1,3-diamine;dihydrochloride
CID 50988303
1-[2-[methyl(2-thiophen-2-ylethyl)amino]ethyl]cyclohexan-1-amine
CID 79487873
2-(1-aminocyclobutyl)-N-[(3-chlorophenyl)methyl]-N-propan-2-ylacetamide
CID 79854440
6-chloro-N-[(3-chlorophenyl)methyl]-N-methylhexan-1-amine
CID 55192519

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(3-chlorophenyl)methyl-methylamino]ethyl]cyclohexan-1-amine?
The IUPAC name of 1-[2-[(3-chlorophenyl)methyl-methylamino]ethyl]cyclohexan-1-amine (CID 64679518) is 1-[2-[(3-chlorophenyl)methyl-methylamino]ethyl]cyclohexan-1-amine.
What is the SMILES notation for 1-[2-[(3-chlorophenyl)methyl-methylamino]ethyl]cyclohexan-1-amine?
The canonical SMILES for 1-[2-[(3-chlorophenyl)methyl-methylamino]ethyl]cyclohexan-1-amine is CN(CCC1(N)CCCCC1)Cc1cccc(Cl)c1.
What is the InChIKey of 1-[2-[(3-chlorophenyl)methyl-methylamino]ethyl]cyclohexan-1-amine?
The InChIKey is URGGXPDNTWEOII-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25ClN2/c1-19(13-14-6-5-7-15(17)12-14)11-10-16(18)8-3-2-4-9-16/h5-7,12H,2-4,8-11,13,18H2,1H3.
What are the key properties of 1-[2-[(3-chlorophenyl)methyl-methylamino]ethyl]cyclohexan-1-amine?
1-[2-[(3-chlorophenyl)methyl-methylamino]ethyl]cyclohexan-1-amine has a molecular weight of 280.84 g/mol, XLogP of 3.82, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(3-chlorophenyl)methyl-methylamino]ethyl]cyclohexan-1-amine is sourced from PubChem (CID 64679518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).