1-(aminomethyl)-N-[(3-chlorophenyl)methyl]-N,3,4-trimethylcyclohexan-1-amine

C17H27ClN2 — CID 64746825

IUPAC1-(aminomethyl)-N-[(3-chlorophenyl)methyl]-N,3,4-trimethylcyclohexan-1-amine
SMILESCC1CCC(CN)(N(C)Cc2cccc(Cl)c2)CC1C
InChIInChI=1S/C17H27ClN2/c1-13-7-8-17(12-19,10-14(13)2)20(3)11-15-5-4-6-16(18)9-15/h4-6,9,13-14H,7-8,10-12,19H2,1-3H3
InChIKeyOPJNKMRVCQNWDR-UHFFFAOYSA-N
MW294.87 g/mol
LogP3.93
Rot. Bonds4

About 1-(aminomethyl)-N-[(3-chlorophenyl)methyl]-N,3,4-trimethylcyclohexan-1-amine

1-(aminomethyl)-N-[(3-chlorophenyl)methyl]-N,3,4-trimethylcyclohexan-1-amine (PubChem CID 64746825) has the molecular formula C17H27ClN2 and a molecular weight of 294.87 g/mol. Its IUPAC name is 1-(aminomethyl)-N-[(3-chlorophenyl)methyl]-N,3,4-trimethylcyclohexan-1-amine.

Molecular Properties

Compound Name1-(aminomethyl)-N-[(3-chlorophenyl)methyl]-N,3,4-trimethylcyclohexan-1-amine
PubChem CID64746825
Molecular FormulaC17H27ClN2
Molecular Weight294.87 g/mol
Exact Mass294.19
IUPAC Name1-(aminomethyl)-N-[(3-chlorophenyl)methyl]-N,3,4-trimethylcyclohexan-1-amine
SMILESCC1CCC(CN)(N(C)Cc2cccc(Cl)c2)CC1C
InChIInChI=1S/C17H27ClN2/c1-13-7-8-17(12-19,10-14(13)2)20(3)11-15-5-4-6-16(18)9-15/h4-6,9,13-14H,7-8,10-12,19H2,1-3H3
InChIKeyOPJNKMRVCQNWDR-UHFFFAOYSA-N
XLogP3.93
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.87
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(aminomethyl)-N-[(3-chlorophenyl)methyl]-N,3,4-trimethylcyclohexan-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-(aminomethyl)-N-[1-(3-chlorophenyl)ethyl]-N,3,4-trimethylcyclohexan-1-amine
CID 64744863
1-(aminomethyl)-N,4-dimethyl-N-[(3-methylphenyl)methyl]cycloheptan-1-amine
CID 65084665
1-(aminomethyl)-3-methoxy-N-methyl-N-[(3-methylphenyl)methyl]cyclohexan-1-amine
CID 106872249
1-(aminomethyl)-N-methyl-N-[(3-methylphenyl)methyl]-3-propan-2-ylcyclohexan-1-amine
CID 107448986
1-(aminomethyl)-N-benzyl-N,3-dimethylcyclohexan-1-amine
CID 43176319
1-(aminomethyl)-N-[(4-chlorophenyl)methyl]-N,3-dimethylcyclobutan-1-amine
CID 103562677
N-[(3-chlorophenyl)methyl]-N-methylcyclopropanamine
CID 130877387
1-(aminomethyl)-N-[(3,5-dimethylphenyl)methyl]-N,4-dimethylcyclohexan-1-amine
CID 63487165
1-(aminomethyl)-N-benzyl-N-methylcyclopropan-1-amine
CID 106661010
1-(aminomethyl)-N-[(3-methoxyphenyl)methyl]-N-methylcyclopropan-1-amine
CID 106661100
1-(aminomethyl)-N,3,4-trimethyl-N-(2-pyrrolidin-1-ylethyl)cyclohexan-1-amine
CID 64746041
1-(aminomethyl)-N-[(3-bromophenyl)methyl]-N,3,3,5-tetramethylcyclohexan-1-amine
CID 63470621

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-[(3-chlorophenyl)methyl]-N,3,4-trimethylcyclohexan-1-amine?
The IUPAC name of 1-(aminomethyl)-N-[(3-chlorophenyl)methyl]-N,3,4-trimethylcyclohexan-1-amine (CID 64746825) is 1-(aminomethyl)-N-[(3-chlorophenyl)methyl]-N,3,4-trimethylcyclohexan-1-amine.
What is the SMILES notation for 1-(aminomethyl)-N-[(3-chlorophenyl)methyl]-N,3,4-trimethylcyclohexan-1-amine?
The canonical SMILES for 1-(aminomethyl)-N-[(3-chlorophenyl)methyl]-N,3,4-trimethylcyclohexan-1-amine is CC1CCC(CN)(N(C)Cc2cccc(Cl)c2)CC1C.
What is the InChIKey of 1-(aminomethyl)-N-[(3-chlorophenyl)methyl]-N,3,4-trimethylcyclohexan-1-amine?
The InChIKey is OPJNKMRVCQNWDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27ClN2/c1-13-7-8-17(12-19,10-14(13)2)20(3)11-15-5-4-6-16(18)9-15/h4-6,9,13-14H,7-8,10-12,19H2,1-3H3.
What are the key properties of 1-(aminomethyl)-N-[(3-chlorophenyl)methyl]-N,3,4-trimethylcyclohexan-1-amine?
1-(aminomethyl)-N-[(3-chlorophenyl)methyl]-N,3,4-trimethylcyclohexan-1-amine has a molecular weight of 294.87 g/mol, XLogP of 3.93, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-[(3-chlorophenyl)methyl]-N,3,4-trimethylcyclohexan-1-amine is sourced from PubChem (CID 64746825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).