1-(3-chlorophenyl)-1-(3,5-dimethylcyclohexyl)ethanamine

C16H24ClN — CID 64730488

IUPAC1-(3-chlorophenyl)-1-(3,5-dimethylcyclohexyl)ethanamine
SMILESCC1CC(C)CC(C(C)(N)c2cccc(Cl)c2)C1
InChIInChI=1S/C16H24ClN/c1-11-7-12(2)9-14(8-11)16(3,18)13-5-4-6-15(17)10-13/h4-6,10-12,14H,7-9,18H2,1-3H3
InChIKeyBSSMPAGWTZBIDW-UHFFFAOYSA-N
MW265.83 g/mol
LogP4.59
Rot. Bonds2

About 1-(3-chlorophenyl)-1-(3,5-dimethylcyclohexyl)ethanamine

1-(3-chlorophenyl)-1-(3,5-dimethylcyclohexyl)ethanamine (PubChem CID 64730488) has the molecular formula C16H24ClN and a molecular weight of 265.83 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-1-(3,5-dimethylcyclohexyl)ethanamine.

Molecular Properties

Compound Name1-(3-chlorophenyl)-1-(3,5-dimethylcyclohexyl)ethanamine
PubChem CID64730488
Molecular FormulaC16H24ClN
Molecular Weight265.83 g/mol
Exact Mass265.16
IUPAC Name1-(3-chlorophenyl)-1-(3,5-dimethylcyclohexyl)ethanamine
SMILESCC1CC(C)CC(C(C)(N)c2cccc(Cl)c2)C1
InChIInChI=1S/C16H24ClN/c1-11-7-12(2)9-14(8-11)16(3,18)13-5-4-6-15(17)10-13/h4-6,10-12,14H,7-9,18H2,1-3H3
InChIKeyBSSMPAGWTZBIDW-UHFFFAOYSA-N
XLogP4.59
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.83
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-chlorophenyl)-1-(3,5-dimethylcyclohexyl)ethanamine
CID 64730487
1-chloro-3-(1,1-dibromoethyl)benzene
CID 15877621
1-(4-tert-butylphenyl)-1-(3-chlorophenyl)ethanamine
CID 63408144
[1-amino-1-(3-chlorophenyl)ethyl] thiohypofluorite
CID 150613645
1-(3-chlorophenyl)-1-cyclohexylethanol
CID 43810110
1-chloro-3-(2,3-dimethylbutan-2-yl)benzene
CID 118359606
2-(3-chlorophenyl)-1-(4-chlorophenyl)-2-methylpropan-1-ol
CID 156884075
1-(3-chlorophenyl)-1-(3,5-difluorophenyl)ethanamine
CID 62789192
1-tert-butyl-3-chlorobenzene;sulfuryl dichloride
CID 174401484
(1S)-1-(3-chlorophenyl)-1-fluoroethanol
CID 175477647
1-(3-chlorophenyl)-1-pyrimidin-5-ylethanamine
CID 62490873
1-cyclopropyl-1-(3-methoxyphenyl)ethanamine
CID 82236080

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-1-(3,5-dimethylcyclohexyl)ethanamine?
The IUPAC name of 1-(3-chlorophenyl)-1-(3,5-dimethylcyclohexyl)ethanamine (CID 64730488) is 1-(3-chlorophenyl)-1-(3,5-dimethylcyclohexyl)ethanamine.
What is the SMILES notation for 1-(3-chlorophenyl)-1-(3,5-dimethylcyclohexyl)ethanamine?
The canonical SMILES for 1-(3-chlorophenyl)-1-(3,5-dimethylcyclohexyl)ethanamine is CC1CC(C)CC(C(C)(N)c2cccc(Cl)c2)C1.
What is the InChIKey of 1-(3-chlorophenyl)-1-(3,5-dimethylcyclohexyl)ethanamine?
The InChIKey is BSSMPAGWTZBIDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClN/c1-11-7-12(2)9-14(8-11)16(3,18)13-5-4-6-15(17)10-13/h4-6,10-12,14H,7-9,18H2,1-3H3.
What are the key properties of 1-(3-chlorophenyl)-1-(3,5-dimethylcyclohexyl)ethanamine?
1-(3-chlorophenyl)-1-(3,5-dimethylcyclohexyl)ethanamine has a molecular weight of 265.83 g/mol, XLogP of 4.59, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-1-(3,5-dimethylcyclohexyl)ethanamine is sourced from PubChem (CID 64730488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).