1-[(3,4-dichlorophenyl)methyl]-N-methylcyclohexan-1-amine

C14H19Cl2N — CID 94697451

IUPAC1-[(3,4-dichlorophenyl)methyl]-N-methylcyclohexan-1-amine
SMILESCNC1(Cc2ccc(Cl)c(Cl)c2)CCCCC1
InChIInChI=1S/C14H19Cl2N/c1-17-14(7-3-2-4-8-14)10-11-5-6-12(15)13(16)9-11/h5-6,9,17H,2-4,7-8,10H2,1H3
InChIKeyCMVHLBZUJXEPCN-UHFFFAOYSA-N
MW272.22 g/mol
LogP4.46
Rot. Bonds3

About 1-[(3,4-dichlorophenyl)methyl]-N-methylcyclohexan-1-amine

1-[(3,4-dichlorophenyl)methyl]-N-methylcyclohexan-1-amine (PubChem CID 94697451) has the molecular formula C14H19Cl2N and a molecular weight of 272.22 g/mol. Its IUPAC name is 1-[(3,4-dichlorophenyl)methyl]-N-methylcyclohexan-1-amine.

Molecular Properties

Compound Name1-[(3,4-dichlorophenyl)methyl]-N-methylcyclohexan-1-amine
PubChem CID94697451
Molecular FormulaC14H19Cl2N
Molecular Weight272.22 g/mol
Exact Mass271.09
IUPAC Name1-[(3,4-dichlorophenyl)methyl]-N-methylcyclohexan-1-amine
SMILESCNC1(Cc2ccc(Cl)c(Cl)c2)CCCCC1
InChIInChI=1S/C14H19Cl2N/c1-17-14(7-3-2-4-8-14)10-11-5-6-12(15)13(16)9-11/h5-6,9,17H,2-4,7-8,10H2,1H3
InChIKeyCMVHLBZUJXEPCN-UHFFFAOYSA-N
XLogP4.46
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.22
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1-[(3,4-dichlorophenyl)methyl]-N-methylcyclohexan-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-[(3-chlorophenyl)methyl]-N-methylcyclopentan-1-amine
CID 82128067
N-methyl-1-[(3-methylphenyl)methyl]cyclohexan-1-amine
CID 82127246
[1-[(3,4-dichlorophenyl)methyl]cyclohexyl]methanamine
CID 63522504
[1-[(3,4-dichlorophenyl)methyl]cycloheptyl]methanamine
CID 65390706
1-(1,3-benzodioxol-5-ylmethyl)-N-methylcyclopentan-1-amine
CID 82129060
1-[(3,4-dichlorophenyl)methyl]-2,2-dimethylcyclohexan-1-amine
CID 79834366
1-benzyl-N-methylcyclobutan-1-amine
CID 89012773
1-[(2,5-dichlorophenyl)methyl]-N-methylcyclopropan-1-amine
CID 171613045
1,2-dichloro-4-[[1-(chloromethyl)cyclopropyl]methyl]benzene
CID 66033323
1-[(3,4-dichlorophenyl)methyl]-2-methylcyclohexan-1-amine
CID 63408298
2-(3,4-dichlorophenyl)-1-(1-methylcyclohexyl)ethanamine
CID 106827645
1-[(2-chloro-5-fluorophenyl)methyl]-N-methylcyclopropan-1-amine
CID 83689412

Frequently Asked Questions

What is the IUPAC name of 1-[(3,4-dichlorophenyl)methyl]-N-methylcyclohexan-1-amine?
The IUPAC name of 1-[(3,4-dichlorophenyl)methyl]-N-methylcyclohexan-1-amine (CID 94697451) is 1-[(3,4-dichlorophenyl)methyl]-N-methylcyclohexan-1-amine.
What is the SMILES notation for 1-[(3,4-dichlorophenyl)methyl]-N-methylcyclohexan-1-amine?
The canonical SMILES for 1-[(3,4-dichlorophenyl)methyl]-N-methylcyclohexan-1-amine is CNC1(Cc2ccc(Cl)c(Cl)c2)CCCCC1.
What is the InChIKey of 1-[(3,4-dichlorophenyl)methyl]-N-methylcyclohexan-1-amine?
The InChIKey is CMVHLBZUJXEPCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19Cl2N/c1-17-14(7-3-2-4-8-14)10-11-5-6-12(15)13(16)9-11/h5-6,9,17H,2-4,7-8,10H2,1H3.
What are the key properties of 1-[(3,4-dichlorophenyl)methyl]-N-methylcyclohexan-1-amine?
1-[(3,4-dichlorophenyl)methyl]-N-methylcyclohexan-1-amine has a molecular weight of 272.22 g/mol, XLogP of 4.46, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,4-dichlorophenyl)methyl]-N-methylcyclohexan-1-amine is sourced from PubChem (CID 94697451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).