2-[(3-chlorophenyl)methyl]-4-propylcyclohexan-1-amine

C16H24ClN — CID 63403544

IUPAC2-[(3-chlorophenyl)methyl]-4-propylcyclohexan-1-amine
SMILESCCCC1CCC(N)C(Cc2cccc(Cl)c2)C1
InChIInChI=1S/C16H24ClN/c1-2-4-12-7-8-16(18)14(9-12)10-13-5-3-6-15(17)11-13/h3,5-6,11-12,14,16H,2,4,7-10,18H2,1H3
InChIKeyPLJFYTGINBOKPY-UHFFFAOYSA-N
MW265.83 g/mol
LogP4.43
Rot. Bonds4

About 2-[(3-chlorophenyl)methyl]-4-propylcyclohexan-1-amine

2-[(3-chlorophenyl)methyl]-4-propylcyclohexan-1-amine (PubChem CID 63403544) has the molecular formula C16H24ClN and a molecular weight of 265.83 g/mol. Its IUPAC name is 2-[(3-chlorophenyl)methyl]-4-propylcyclohexan-1-amine.

Molecular Properties

Compound Name2-[(3-chlorophenyl)methyl]-4-propylcyclohexan-1-amine
PubChem CID63403544
Molecular FormulaC16H24ClN
Molecular Weight265.83 g/mol
Exact Mass265.16
IUPAC Name2-[(3-chlorophenyl)methyl]-4-propylcyclohexan-1-amine
SMILESCCCC1CCC(N)C(Cc2cccc(Cl)c2)C1
InChIInChI=1S/C16H24ClN/c1-2-4-12-7-8-16(18)14(9-12)10-13-5-3-6-15(17)11-13/h3,5-6,11-12,14,16H,2,4,7-10,18H2,1H3
InChIKeyPLJFYTGINBOKPY-UHFFFAOYSA-N
XLogP4.43
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.83
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

[2-[(3-chlorophenyl)methyl]-4-propylcyclohexyl]methanamine
CID 81011460
2-[(2,6-dichlorophenyl)methyl]-4-propylcyclohexan-1-amine
CID 63403409
1-chloro-3-[(2-chloro-5-ethylcyclohexyl)methyl]benzene
CID 63461867
3-[(3-chlorophenyl)methyl]-1-methylpiperidin-4-amine
CID 118991788
[2-[(3-fluorophenyl)methyl]-4-propylcyclohexyl]methanamine
CID 81012992
3-[(3-chlorophenyl)methyl]cyclobutan-1-amine
CID 142422934
N-[[2-[(3-chlorophenyl)methyl]-4-ethylcyclohexyl]methyl]ethanamine
CID 81029934
2-(2,5-dichlorophenyl)-4-propylcyclohexan-1-amine
CID 81014836
2-[(3-chlorophenyl)methyl]-N-ethyl-4-methylcyclohexan-1-amine
CID 55188048
2-[(1-ethylpyrazol-4-yl)methyl]-4-propylcyclohexan-1-amine
CID 62128171
2-[(4-chlorophenyl)methylsulfonyl]-4-propylcyclohexan-1-amine
CID 114792080
2-benzyl-N-methyl-4-propylcyclohexan-1-amine
CID 63403724

Frequently Asked Questions

What is the IUPAC name of 2-[(3-chlorophenyl)methyl]-4-propylcyclohexan-1-amine?
The IUPAC name of 2-[(3-chlorophenyl)methyl]-4-propylcyclohexan-1-amine (CID 63403544) is 2-[(3-chlorophenyl)methyl]-4-propylcyclohexan-1-amine.
What is the SMILES notation for 2-[(3-chlorophenyl)methyl]-4-propylcyclohexan-1-amine?
The canonical SMILES for 2-[(3-chlorophenyl)methyl]-4-propylcyclohexan-1-amine is CCCC1CCC(N)C(Cc2cccc(Cl)c2)C1.
What is the InChIKey of 2-[(3-chlorophenyl)methyl]-4-propylcyclohexan-1-amine?
The InChIKey is PLJFYTGINBOKPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClN/c1-2-4-12-7-8-16(18)14(9-12)10-13-5-3-6-15(17)11-13/h3,5-6,11-12,14,16H,2,4,7-10,18H2,1H3.
What are the key properties of 2-[(3-chlorophenyl)methyl]-4-propylcyclohexan-1-amine?
2-[(3-chlorophenyl)methyl]-4-propylcyclohexan-1-amine has a molecular weight of 265.83 g/mol, XLogP of 4.43, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chlorophenyl)methyl]-4-propylcyclohexan-1-amine is sourced from PubChem (CID 63403544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).