1-(3-chlorophenyl)-2-(cyclohexen-1-yl)ethanamine

C14H18ClN — CID 116661307

IUPAC1-(3-chlorophenyl)-2-(cyclohexen-1-yl)ethanamine
SMILESNC(CC1=CCCCC1)c1cccc(Cl)c1
InChIInChI=1S/C14H18ClN/c15-13-8-4-7-12(10-13)14(16)9-11-5-2-1-3-6-11/h4-5,7-8,10,14H,1-3,6,9,16H2
InChIKeyXSQUBUFVFDFICM-UHFFFAOYSA-N
MW235.76 g/mol
LogP4.23
Rot. Bonds3

About 1-(3-chlorophenyl)-2-(cyclohexen-1-yl)ethanamine

1-(3-chlorophenyl)-2-(cyclohexen-1-yl)ethanamine (PubChem CID 116661307) has the molecular formula C14H18ClN and a molecular weight of 235.76 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-2-(cyclohexen-1-yl)ethanamine.

Molecular Properties

Compound Name1-(3-chlorophenyl)-2-(cyclohexen-1-yl)ethanamine
PubChem CID116661307
Molecular FormulaC14H18ClN
Molecular Weight235.76 g/mol
Exact Mass235.11
IUPAC Name1-(3-chlorophenyl)-2-(cyclohexen-1-yl)ethanamine
SMILESNC(CC1=CCCCC1)c1cccc(Cl)c1
InChIInChI=1S/C14H18ClN/c15-13-8-4-7-12(10-13)14(16)9-11-5-2-1-3-6-11/h4-5,7-8,10,14H,1-3,6,9,16H2
InChIKeyXSQUBUFVFDFICM-UHFFFAOYSA-N
XLogP4.23
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.76
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 1-(3-chlorophenyl)-2-(cyclohexen-1-yl)ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[1-(3-chlorophenyl)-2-(cyclohexen-1-yl)ethyl]hydrazine
CID 105270128
2-(cyclohexen-1-yl)-1-[3-(2-methylpropyl)phenyl]ethanamine
CID 116661191
2-(cyclopenten-1-yl)-1-phenylethanamine
CID 131037986
1-(3-chlorophenyl)-2-(3,4-dichlorophenyl)ethanamine
CID 55139269
2-(cyclohexen-1-yl)-1-(cycloocten-1-yl)ethanamine
CID 106654410
1-(4-chlorophenyl)-2-(cyclohexen-1-yl)ethanol
CID 116660033
[(3-chlorophenyl)-(cyclohepten-1-yl)methyl]hydrazine
CID 106648562
3-(cyclohexen-1-yl)-1-phenylpropan-1-amine
CID 173292845
(1R)-1-(3-chlorophenyl)propane-1,3-diamine;hydrochloride
CID 171199565
1-(5-chloro-2-methoxyphenyl)-3-(cyclohexen-1-yl)propan-2-amine
CID 116661242
1-(3-chlorophenyl)-N',N'-dimethylethane-1,2-diamine
CID 79093670
(1R)-1-(3-chlorophenyl)but-3-en-1-amine
CID 12984122

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-2-(cyclohexen-1-yl)ethanamine?
The IUPAC name of 1-(3-chlorophenyl)-2-(cyclohexen-1-yl)ethanamine (CID 116661307) is 1-(3-chlorophenyl)-2-(cyclohexen-1-yl)ethanamine.
What is the SMILES notation for 1-(3-chlorophenyl)-2-(cyclohexen-1-yl)ethanamine?
The canonical SMILES for 1-(3-chlorophenyl)-2-(cyclohexen-1-yl)ethanamine is NC(CC1=CCCCC1)c1cccc(Cl)c1.
What is the InChIKey of 1-(3-chlorophenyl)-2-(cyclohexen-1-yl)ethanamine?
The InChIKey is XSQUBUFVFDFICM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN/c15-13-8-4-7-12(10-13)14(16)9-11-5-2-1-3-6-11/h4-5,7-8,10,14H,1-3,6,9,16H2.
What are the key properties of 1-(3-chlorophenyl)-2-(cyclohexen-1-yl)ethanamine?
1-(3-chlorophenyl)-2-(cyclohexen-1-yl)ethanamine has a molecular weight of 235.76 g/mol, XLogP of 4.23, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-2-(cyclohexen-1-yl)ethanamine is sourced from PubChem (CID 116661307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).