1-[(3-chlorophenyl)methyl]-3-(2-methylpropyl)cyclohexan-1-amine

C17H26ClN — CID 107430001

IUPAC1-[(3-chlorophenyl)methyl]-3-(2-methylpropyl)cyclohexan-1-amine
SMILESCC(C)CC1CCCC(N)(Cc2cccc(Cl)c2)C1
InChIInChI=1S/C17H26ClN/c1-13(2)9-14-6-4-8-17(19,11-14)12-15-5-3-7-16(18)10-15/h3,5,7,10,13-14H,4,6,8-9,11-12,19H2,1-2H3
InChIKeyPYJYRPSZIYYSJY-UHFFFAOYSA-N
MW279.85 g/mol
LogP4.82
Rot. Bonds4

About 1-[(3-chlorophenyl)methyl]-3-(2-methylpropyl)cyclohexan-1-amine

1-[(3-chlorophenyl)methyl]-3-(2-methylpropyl)cyclohexan-1-amine (PubChem CID 107430001) has the molecular formula C17H26ClN and a molecular weight of 279.85 g/mol. Its IUPAC name is 1-[(3-chlorophenyl)methyl]-3-(2-methylpropyl)cyclohexan-1-amine.

Molecular Properties

Compound Name1-[(3-chlorophenyl)methyl]-3-(2-methylpropyl)cyclohexan-1-amine
PubChem CID107430001
Molecular FormulaC17H26ClN
Molecular Weight279.85 g/mol
Exact Mass279.18
IUPAC Name1-[(3-chlorophenyl)methyl]-3-(2-methylpropyl)cyclohexan-1-amine
SMILESCC(C)CC1CCCC(N)(Cc2cccc(Cl)c2)C1
InChIInChI=1S/C17H26ClN/c1-13(2)9-14-6-4-8-17(19,11-14)12-15-5-3-7-16(18)10-15/h3,5,7,10,13-14H,4,6,8-9,11-12,19H2,1-2H3
InChIKeyPYJYRPSZIYYSJY-UHFFFAOYSA-N
XLogP4.82
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.85
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[(3-chlorophenyl)methyl]-3-(2-methylpropyl)cyclohexan-1-amine?
The IUPAC name of 1-[(3-chlorophenyl)methyl]-3-(2-methylpropyl)cyclohexan-1-amine (CID 107430001) is 1-[(3-chlorophenyl)methyl]-3-(2-methylpropyl)cyclohexan-1-amine.
What is the SMILES notation for 1-[(3-chlorophenyl)methyl]-3-(2-methylpropyl)cyclohexan-1-amine?
The canonical SMILES for 1-[(3-chlorophenyl)methyl]-3-(2-methylpropyl)cyclohexan-1-amine is CC(C)CC1CCCC(N)(Cc2cccc(Cl)c2)C1.
What is the InChIKey of 1-[(3-chlorophenyl)methyl]-3-(2-methylpropyl)cyclohexan-1-amine?
The InChIKey is PYJYRPSZIYYSJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26ClN/c1-13(2)9-14-6-4-8-17(19,11-14)12-15-5-3-7-16(18)10-15/h3,5,7,10,13-14H,4,6,8-9,11-12,19H2,1-2H3.
What are the key properties of 1-[(3-chlorophenyl)methyl]-3-(2-methylpropyl)cyclohexan-1-amine?
1-[(3-chlorophenyl)methyl]-3-(2-methylpropyl)cyclohexan-1-amine has a molecular weight of 279.85 g/mol, XLogP of 4.82, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-chlorophenyl)methyl]-3-(2-methylpropyl)cyclohexan-1-amine is sourced from PubChem (CID 107430001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).