[2-[(3-chlorophenyl)methyl]-4-propylcyclohexyl]methanamine

C17H26ClN — CID 81011460

IUPAC[2-[(3-chlorophenyl)methyl]-4-propylcyclohexyl]methanamine
SMILESCCCC1CCC(CN)C(Cc2cccc(Cl)c2)C1
InChIInChI=1S/C17H26ClN/c1-2-4-13-7-8-15(12-19)16(9-13)10-14-5-3-6-17(18)11-14/h3,5-6,11,13,15-16H,2,4,7-10,12,19H2,1H3
InChIKeyCISWHEJAGYWJRC-UHFFFAOYSA-N
MW279.85 g/mol
LogP4.67
Rot. Bonds5

About [2-[(3-chlorophenyl)methyl]-4-propylcyclohexyl]methanamine

[2-[(3-chlorophenyl)methyl]-4-propylcyclohexyl]methanamine (PubChem CID 81011460) has the molecular formula C17H26ClN and a molecular weight of 279.85 g/mol. Its IUPAC name is [2-[(3-chlorophenyl)methyl]-4-propylcyclohexyl]methanamine.

Molecular Properties

Compound Name[2-[(3-chlorophenyl)methyl]-4-propylcyclohexyl]methanamine
PubChem CID81011460
Molecular FormulaC17H26ClN
Molecular Weight279.85 g/mol
Exact Mass279.18
IUPAC Name[2-[(3-chlorophenyl)methyl]-4-propylcyclohexyl]methanamine
SMILESCCCC1CCC(CN)C(Cc2cccc(Cl)c2)C1
InChIInChI=1S/C17H26ClN/c1-2-4-13-7-8-15(12-19)16(9-13)10-14-5-3-6-17(18)11-14/h3,5-6,11,13,15-16H,2,4,7-10,12,19H2,1H3
InChIKeyCISWHEJAGYWJRC-UHFFFAOYSA-N
XLogP4.67
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.85
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[(3-chlorophenyl)methyl]-4-propylcyclohexan-1-amine
CID 63403544
[2-[(3-fluorophenyl)methyl]-4-propylcyclohexyl]methanamine
CID 81012992
[2-(2,3-dihydro-1H-inden-5-ylmethyl)-4-propylcyclohexyl]methanamine
CID 81012326
N-[[2-[(3-chlorophenyl)methyl]-4-ethylcyclohexyl]methyl]ethanamine
CID 81029934
1-chloro-3-[(2-chloro-5-ethylcyclohexyl)methyl]benzene
CID 63461867
[2-[(3-bromophenyl)methyl]-4-methylcyclohexyl]methanamine
CID 81009868
[4-methyl-2-[(3-methylphenyl)methyl]cyclohexyl]methanamine
CID 81010967
[2-[(3-fluorophenyl)methyl]-4-methylcyclohexyl]methanamine
CID 81010735
[2-[(4-bromophenyl)methyl]-4-ethylcyclohexyl]methanamine
CID 81012573
[2-[(5-bromo-2-methoxyphenyl)methyl]-4-propylcyclohexyl]methanamine
CID 81012982
[2-[(2,5-dimethylpyrazol-3-yl)methyl]-4-propylcyclohexyl]methanamine
CID 81012781
3-[(3-chlorophenyl)methyl]cyclobutan-1-amine
CID 142422934

Frequently Asked Questions

What is the IUPAC name of [2-[(3-chlorophenyl)methyl]-4-propylcyclohexyl]methanamine?
The IUPAC name of [2-[(3-chlorophenyl)methyl]-4-propylcyclohexyl]methanamine (CID 81011460) is [2-[(3-chlorophenyl)methyl]-4-propylcyclohexyl]methanamine.
What is the SMILES notation for [2-[(3-chlorophenyl)methyl]-4-propylcyclohexyl]methanamine?
The canonical SMILES for [2-[(3-chlorophenyl)methyl]-4-propylcyclohexyl]methanamine is CCCC1CCC(CN)C(Cc2cccc(Cl)c2)C1.
What is the InChIKey of [2-[(3-chlorophenyl)methyl]-4-propylcyclohexyl]methanamine?
The InChIKey is CISWHEJAGYWJRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26ClN/c1-2-4-13-7-8-15(12-19)16(9-13)10-14-5-3-6-17(18)11-14/h3,5-6,11,13,15-16H,2,4,7-10,12,19H2,1H3.
What are the key properties of [2-[(3-chlorophenyl)methyl]-4-propylcyclohexyl]methanamine?
[2-[(3-chlorophenyl)methyl]-4-propylcyclohexyl]methanamine has a molecular weight of 279.85 g/mol, XLogP of 4.67, 5 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-propylcyclohexyl]methanamine is sourced from PubChem (CID 81011460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).