1-(aminomethyl)-N-[1-(4-chlorophenyl)ethyl]-N,4-dimethylcyclohexan-1-amine

C17H27ClN2 — CID 63465615

IUPAC1-(aminomethyl)-N-[1-(4-chlorophenyl)ethyl]-N,4-dimethylcyclohexan-1-amine
SMILESCC1CCC(CN)(N(C)C(C)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C17H27ClN2/c1-13-8-10-17(12-19,11-9-13)20(3)14(2)15-4-6-16(18)7-5-15/h4-7,13-14H,8-12,19H2,1-3H3
InChIKeyOPMJIXTXEQESIN-UHFFFAOYSA-N
MW294.87 g/mol
LogP4.24
Rot. Bonds4

About 1-(aminomethyl)-N-[1-(4-chlorophenyl)ethyl]-N,4-dimethylcyclohexan-1-amine

1-(aminomethyl)-N-[1-(4-chlorophenyl)ethyl]-N,4-dimethylcyclohexan-1-amine (PubChem CID 63465615) has the molecular formula C17H27ClN2 and a molecular weight of 294.87 g/mol. Its IUPAC name is 1-(aminomethyl)-N-[1-(4-chlorophenyl)ethyl]-N,4-dimethylcyclohexan-1-amine.

Molecular Properties

Compound Name1-(aminomethyl)-N-[1-(4-chlorophenyl)ethyl]-N,4-dimethylcyclohexan-1-amine
PubChem CID63465615
Molecular FormulaC17H27ClN2
Molecular Weight294.87 g/mol
Exact Mass294.19
IUPAC Name1-(aminomethyl)-N-[1-(4-chlorophenyl)ethyl]-N,4-dimethylcyclohexan-1-amine
SMILESCC1CCC(CN)(N(C)C(C)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C17H27ClN2/c1-13-8-10-17(12-19,11-9-13)20(3)14(2)15-4-6-16(18)7-5-15/h4-7,13-14H,8-12,19H2,1-3H3
InChIKeyOPMJIXTXEQESIN-UHFFFAOYSA-N
XLogP4.24
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 ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(aminomethyl)-N-[1-(4-chlorophenyl)ethyl]-N-methyl-1,1-dioxothian-4-amine
CID 62977913
1-(aminomethyl)-N-[1-(2-chlorophenyl)ethyl]-N,4-dimethylcycloheptan-1-amine
CID 65085040
1-(aminomethyl)-N-[1-(3-chlorophenyl)ethyl]-N,3,4-trimethylcyclohexan-1-amine
CID 64744863
1-(aminomethyl)-N-[1-(4-chlorophenyl)ethyl]-N,2,2-trimethylcyclopentan-1-amine
CID 79856564
1-(aminomethyl)-N-[1-(3-chlorophenyl)ethyl]-N-methylcyclobutan-1-amine
CID 79520737
1-(aminomethyl)-N,N,4-trimethylcyclohexan-1-amine
CID 9161377
1-(aminomethyl)-N,4-dimethyl-N-pentan-3-ylcyclohexan-1-amine
CID 43570878
4-(aminomethyl)-N-[1-(3-chlorophenyl)ethyl]-N-methyl-1,1-dioxothian-4-amine
CID 62979316
1-(aminomethyl)-N,N,4-trimethylcycloheptan-1-amine
CID 65085240
1-(aminomethyl)-N-[(4-chlorophenyl)methyl]-N,3,4-trimethylcyclohexan-1-amine
CID 64747023
1-(aminomethyl)-N,3-dimethyl-N-pentan-2-ylcyclopentan-1-amine
CID 64501372
1-(aminomethyl)-N-[1-(2-fluorophenyl)ethyl]-N,3,4-trimethylcyclohexan-1-amine
CID 64744864

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-[1-(4-chlorophenyl)ethyl]-N,4-dimethylcyclohexan-1-amine?
The IUPAC name of 1-(aminomethyl)-N-[1-(4-chlorophenyl)ethyl]-N,4-dimethylcyclohexan-1-amine (CID 63465615) is 1-(aminomethyl)-N-[1-(4-chlorophenyl)ethyl]-N,4-dimethylcyclohexan-1-amine.
What is the SMILES notation for 1-(aminomethyl)-N-[1-(4-chlorophenyl)ethyl]-N,4-dimethylcyclohexan-1-amine?
The canonical SMILES for 1-(aminomethyl)-N-[1-(4-chlorophenyl)ethyl]-N,4-dimethylcyclohexan-1-amine is CC1CCC(CN)(N(C)C(C)c2ccc(Cl)cc2)CC1.
What is the InChIKey of 1-(aminomethyl)-N-[1-(4-chlorophenyl)ethyl]-N,4-dimethylcyclohexan-1-amine?
The InChIKey is OPMJIXTXEQESIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27ClN2/c1-13-8-10-17(12-19,11-9-13)20(3)14(2)15-4-6-16(18)7-5-15/h4-7,13-14H,8-12,19H2,1-3H3.
What are the key properties of 1-(aminomethyl)-N-[1-(4-chlorophenyl)ethyl]-N,4-dimethylcyclohexan-1-amine?
1-(aminomethyl)-N-[1-(4-chlorophenyl)ethyl]-N,4-dimethylcyclohexan-1-amine has a molecular weight of 294.87 g/mol, XLogP of 4.24, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-[1-(4-chlorophenyl)ethyl]-N,4-dimethylcyclohexan-1-amine is sourced from PubChem (CID 63465615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).