1-(4-chlorophenyl)-2-N-ethyl-4-methyl-1-N,1-N-dipropylcyclohexane-1,2-diamine

C21H35ClN2 — CID 70507725

IUPAC1-(4-chlorophenyl)-2-N-ethyl-4-methyl-1-N,1-N-dipropylcyclohexane-1,2-diamine
SMILESCCCN(CCC)C1(c2ccc(Cl)cc2)CCC(C)CC1NCC
InChIInChI=1S/C21H35ClN2/c1-5-14-24(15-6-2)21(18-8-10-19(22)11-9-18)13-12-17(4)16-20(21)23-7-3/h8-11,17,20,23H,5-7,12-16H2,1-4H3
InChIKeyIWYZDSUJHGYBQY-UHFFFAOYSA-N
MW350.98 g/mol
LogP5.46
Rot. Bonds8

About 1-(4-chlorophenyl)-2-N-ethyl-4-methyl-1-N,1-N-dipropylcyclohexane-1,2-diamine

1-(4-chlorophenyl)-2-N-ethyl-4-methyl-1-N,1-N-dipropylcyclohexane-1,2-diamine (PubChem CID 70507725) has the molecular formula C21H35ClN2 and a molecular weight of 350.98 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-2-N-ethyl-4-methyl-1-N,1-N-dipropylcyclohexane-1,2-diamine.

Molecular Properties

Compound Name1-(4-chlorophenyl)-2-N-ethyl-4-methyl-1-N,1-N-dipropylcyclohexane-1,2-diamine
PubChem CID70507725
Molecular FormulaC21H35ClN2
Molecular Weight350.98 g/mol
Exact Mass350.25
IUPAC Name1-(4-chlorophenyl)-2-N-ethyl-4-methyl-1-N,1-N-dipropylcyclohexane-1,2-diamine
SMILESCCCN(CCC)C1(c2ccc(Cl)cc2)CCC(C)CC1NCC
InChIInChI=1S/C21H35ClN2/c1-5-14-24(15-6-2)21(18-8-10-19(22)11-9-18)13-12-17(4)16-20(21)23-7-3/h8-11,17,20,23H,5-7,12-16H2,1-4H3
InChIKeyIWYZDSUJHGYBQY-UHFFFAOYSA-N
XLogP5.46
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.98
LogP ≤ 55.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(4-chlorophenyl)-2-N-ethyl-4-methyl-1-N,1-N-dipropylcyclohexane-1,2-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-2-N-ethyl-4-methyl-1-N,1-N-dipropylcyclohexane-1,2-diamine?
The IUPAC name of 1-(4-chlorophenyl)-2-N-ethyl-4-methyl-1-N,1-N-dipropylcyclohexane-1,2-diamine (CID 70507725) is 1-(4-chlorophenyl)-2-N-ethyl-4-methyl-1-N,1-N-dipropylcyclohexane-1,2-diamine.
What is the SMILES notation for 1-(4-chlorophenyl)-2-N-ethyl-4-methyl-1-N,1-N-dipropylcyclohexane-1,2-diamine?
The canonical SMILES for 1-(4-chlorophenyl)-2-N-ethyl-4-methyl-1-N,1-N-dipropylcyclohexane-1,2-diamine is CCCN(CCC)C1(c2ccc(Cl)cc2)CCC(C)CC1NCC.
What is the InChIKey of 1-(4-chlorophenyl)-2-N-ethyl-4-methyl-1-N,1-N-dipropylcyclohexane-1,2-diamine?
The InChIKey is IWYZDSUJHGYBQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H35ClN2/c1-5-14-24(15-6-2)21(18-8-10-19(22)11-9-18)13-12-17(4)16-20(21)23-7-3/h8-11,17,20,23H,5-7,12-16H2,1-4H3.
What are the key properties of 1-(4-chlorophenyl)-2-N-ethyl-4-methyl-1-N,1-N-dipropylcyclohexane-1,2-diamine?
1-(4-chlorophenyl)-2-N-ethyl-4-methyl-1-N,1-N-dipropylcyclohexane-1,2-diamine has a molecular weight of 350.98 g/mol, XLogP of 5.46, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-2-N-ethyl-4-methyl-1-N,1-N-dipropylcyclohexane-1,2-diamine is sourced from PubChem (CID 70507725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).