1-(2-chlorophenyl)-N'-methyl-N'-(3-methylcyclohexyl)propane-1,3-diamine

C17H27ClN2 — CID 62642958

IUPAC1-(2-chlorophenyl)-N'-methyl-N'-(3-methylcyclohexyl)propane-1,3-diamine
SMILESCC1CCCC(N(C)CCC(N)c2ccccc2Cl)C1
InChIInChI=1S/C17H27ClN2/c1-13-6-5-7-14(12-13)20(2)11-10-17(19)15-8-3-4-9-16(15)18/h3-4,8-9,13-14,17H,5-7,10-12,19H2,1-2H3
InChIKeyDIUMOBDWDQXWJT-UHFFFAOYSA-N
MW294.87 g/mol
LogP4.24
Rot. Bonds5

About 1-(2-chlorophenyl)-N'-methyl-N'-(3-methylcyclohexyl)propane-1,3-diamine

1-(2-chlorophenyl)-N'-methyl-N'-(3-methylcyclohexyl)propane-1,3-diamine (PubChem CID 62642958) has the molecular formula C17H27ClN2 and a molecular weight of 294.87 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-N'-methyl-N'-(3-methylcyclohexyl)propane-1,3-diamine.

Molecular Properties

Compound Name1-(2-chlorophenyl)-N'-methyl-N'-(3-methylcyclohexyl)propane-1,3-diamine
PubChem CID62642958
Molecular FormulaC17H27ClN2
Molecular Weight294.87 g/mol
Exact Mass294.19
IUPAC Name1-(2-chlorophenyl)-N'-methyl-N'-(3-methylcyclohexyl)propane-1,3-diamine
SMILESCC1CCCC(N(C)CCC(N)c2ccccc2Cl)C1
InChIInChI=1S/C17H27ClN2/c1-13-6-5-7-14(12-13)20(2)11-10-17(19)15-8-3-4-9-16(15)18/h3-4,8-9,13-14,17H,5-7,10-12,19H2,1-2H3
InChIKeyDIUMOBDWDQXWJT-UHFFFAOYSA-N
XLogP4.24
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
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

1-(2-chlorophenyl)-N',N'-dimethylpropane-1,3-diamine
CID 62644628
1-(2-fluorophenyl)-N'-methyl-N'-(4-methylcyclohexyl)propane-1,3-diamine
CID 62643010
1-(2-chlorophenyl)-3-(2,4-dimethylpiperidin-1-yl)propan-1-amine
CID 62644751
N'-cyclopropyl-N'-methyl-1-(2-methylphenyl)propane-1,3-diamine
CID 62630764
2-[(1R)-1-aminopropyl]-N-methyl-N-(3-methylcyclohexyl)aniline
CID 103958672
1-(2-chlorophenyl)-N'-(cyclopropylmethyl)-N'-ethylpropane-1,3-diamine
CID 63939293
1-(2-chlorophenyl)-N'-methyl-N'-pentan-2-ylpropane-1,3-diamine
CID 62644134
1-(2-chlorophenyl)-N'-[(2-chlorophenyl)methyl]-N'-methylpropane-1,3-diamine
CID 62644408
N'-methyl-N'-(3-methylcyclohexyl)-1-(4-propan-2-ylphenyl)ethane-1,2-diamine
CID 63469595
(1S)-1-(2-chlorophenyl)butan-1-amine
CID 55278025
1-N-methyl-1-N-(3-methylcyclohexyl)hexane-1,4-diamine
CID 106799546
1-(2-chlorophenyl)-1-N-cyclopentyl-1-N-methylbutane-1,2-diamine
CID 55022362

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-N'-methyl-N'-(3-methylcyclohexyl)propane-1,3-diamine?
The IUPAC name of 1-(2-chlorophenyl)-N'-methyl-N'-(3-methylcyclohexyl)propane-1,3-diamine (CID 62642958) is 1-(2-chlorophenyl)-N'-methyl-N'-(3-methylcyclohexyl)propane-1,3-diamine.
What is the SMILES notation for 1-(2-chlorophenyl)-N'-methyl-N'-(3-methylcyclohexyl)propane-1,3-diamine?
The canonical SMILES for 1-(2-chlorophenyl)-N'-methyl-N'-(3-methylcyclohexyl)propane-1,3-diamine is CC1CCCC(N(C)CCC(N)c2ccccc2Cl)C1.
What is the InChIKey of 1-(2-chlorophenyl)-N'-methyl-N'-(3-methylcyclohexyl)propane-1,3-diamine?
The InChIKey is DIUMOBDWDQXWJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27ClN2/c1-13-6-5-7-14(12-13)20(2)11-10-17(19)15-8-3-4-9-16(15)18/h3-4,8-9,13-14,17H,5-7,10-12,19H2,1-2H3.
What are the key properties of 1-(2-chlorophenyl)-N'-methyl-N'-(3-methylcyclohexyl)propane-1,3-diamine?
1-(2-chlorophenyl)-N'-methyl-N'-(3-methylcyclohexyl)propane-1,3-diamine has a molecular weight of 294.87 g/mol, XLogP of 4.24, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-N'-methyl-N'-(3-methylcyclohexyl)propane-1,3-diamine is sourced from PubChem (CID 62642958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).