1-N-[1-(4-chlorophenyl)ethyl]-1-N-methylcyclohexane-1,3-diamine

C15H23ClN2 — CID 79467705

IUPAC1-N-[1-(4-chlorophenyl)ethyl]-1-N-methylcyclohexane-1,3-diamine
SMILESCC(c1ccc(Cl)cc1)N(C)C1CCCC(N)C1
InChIInChI=1S/C15H23ClN2/c1-11(12-6-8-13(16)9-7-12)18(2)15-5-3-4-14(17)10-15/h6-9,11,14-15H,3-5,10,17H2,1-2H3
InChIKeyFYYFTGMJVFZKKG-UHFFFAOYSA-N
MW266.82 g/mol
LogP3.60
Rot. Bonds3

About 1-N-[1-(4-chlorophenyl)ethyl]-1-N-methylcyclohexane-1,3-diamine

1-N-[1-(4-chlorophenyl)ethyl]-1-N-methylcyclohexane-1,3-diamine (PubChem CID 79467705) has the molecular formula C15H23ClN2 and a molecular weight of 266.82 g/mol. Its IUPAC name is 1-N-[1-(4-chlorophenyl)ethyl]-1-N-methylcyclohexane-1,3-diamine.

Molecular Properties

Compound Name1-N-[1-(4-chlorophenyl)ethyl]-1-N-methylcyclohexane-1,3-diamine
PubChem CID79467705
Molecular FormulaC15H23ClN2
Molecular Weight266.82 g/mol
Exact Mass266.15
IUPAC Name1-N-[1-(4-chlorophenyl)ethyl]-1-N-methylcyclohexane-1,3-diamine
SMILESCC(c1ccc(Cl)cc1)N(C)C1CCCC(N)C1
InChIInChI=1S/C15H23ClN2/c1-11(12-6-8-13(16)9-7-12)18(2)15-5-3-4-14(17)10-15/h6-9,11,14-15H,3-5,10,17H2,1-2H3
InChIKeyFYYFTGMJVFZKKG-UHFFFAOYSA-N
XLogP3.60
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.82
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-N-[1-(4-chlorophenyl)ethyl]-1-N-methylcyclohexane-1,3-diamine 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-N-[1-(3-chlorophenyl)ethyl]-1-N-methylcyclohexane-1,3-diamine
CID 79467961
3-amino-N-[1-(4-chlorophenyl)ethyl]-N-methylcyclohexane-1-carboxamide;hydrochloride
CID 119717417
1-N-methyl-1-N-(1-thiophen-2-ylethyl)cyclohexane-1,3-diamine
CID 79469682
2-[1-(4-chlorophenyl)ethyl-methylamino]cyclopentan-1-one
CID 55142595
1-(4-chlorophenyl)-N-cyclopentyl-N-methylethane-1,2-diamine
CID 43267005
2-[1-(4-chlorophenyl)ethyl-methylamino]cyclohexan-1-one
CID 62980236
N-methyl-N-[(1R)-1-phenylethyl]cyclohexanamine
CID 68742462
4-amino-N-[1-(4-chlorophenyl)ethyl]-N-methylcyclohexane-1-carboxamide
CID 60939297
1-[1-(4-chlorophenyl)ethyl]piperidin-3-amine
CID 61297742
N-[1-(4-chlorophenyl)ethyl]-N-methyl-2-[(propan-2-ylamino)methyl]cyclobutan-1-amine
CID 80999920
3-N-[1-(4-chlorophenyl)ethyl]cyclopentane-1,3-diamine
CID 79462351
4-[1-[(4-ethylcyclohexyl)-methylamino]ethyl]aniline
CID 61450845

Frequently Asked Questions

What is the IUPAC name of 1-N-[1-(4-chlorophenyl)ethyl]-1-N-methylcyclohexane-1,3-diamine?
The IUPAC name of 1-N-[1-(4-chlorophenyl)ethyl]-1-N-methylcyclohexane-1,3-diamine (CID 79467705) is 1-N-[1-(4-chlorophenyl)ethyl]-1-N-methylcyclohexane-1,3-diamine.
What is the SMILES notation for 1-N-[1-(4-chlorophenyl)ethyl]-1-N-methylcyclohexane-1,3-diamine?
The canonical SMILES for 1-N-[1-(4-chlorophenyl)ethyl]-1-N-methylcyclohexane-1,3-diamine is CC(c1ccc(Cl)cc1)N(C)C1CCCC(N)C1.
What is the InChIKey of 1-N-[1-(4-chlorophenyl)ethyl]-1-N-methylcyclohexane-1,3-diamine?
The InChIKey is FYYFTGMJVFZKKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2/c1-11(12-6-8-13(16)9-7-12)18(2)15-5-3-4-14(17)10-15/h6-9,11,14-15H,3-5,10,17H2,1-2H3.
What are the key properties of 1-N-[1-(4-chlorophenyl)ethyl]-1-N-methylcyclohexane-1,3-diamine?
1-N-[1-(4-chlorophenyl)ethyl]-1-N-methylcyclohexane-1,3-diamine has a molecular weight of 266.82 g/mol, XLogP of 3.60, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[1-(4-chlorophenyl)ethyl]-1-N-methylcyclohexane-1,3-diamine is sourced from PubChem (CID 79467705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).