cis-(1S,3R)-3-(3-chlorophenyl)cyclohexan-1-amine

C12H16ClN — CID 95376050

IUPACcis-(1S,3R)-3-(3-chlorophenyl)cyclohexan-1-amine
SMILESN[C@H]1CCC[C@@H](c2cccc(Cl)c2)C1
InChIInChI=1S/C12H16ClN/c13-11-5-1-3-9(7-11)10-4-2-6-12(14)8-10/h1,3,5,7,10,12H,2,4,6,8,14H2/t10-,12+/m1/s1
InChIKeyPQUXWNIBHDPXRE-PWSUYJOCSA-N
MW209.72 g/mol
LogP3.32
Rot. Bonds1

About cis-(1S,3R)-3-(3-chlorophenyl)cyclohexan-1-amine

cis-(1S,3R)-3-(3-chlorophenyl)cyclohexan-1-amine (PubChem CID 95376050) has the molecular formula C12H16ClN and a molecular weight of 209.72 g/mol. Its IUPAC name is cis-(1S,3R)-3-(3-chlorophenyl)cyclohexan-1-amine.

Molecular Properties

Compound Namecis-(1S,3R)-3-(3-chlorophenyl)cyclohexan-1-amine
PubChem CID95376050
Molecular FormulaC12H16ClN
Molecular Weight209.72 g/mol
Exact Mass209.10
IUPAC Namecis-(1S,3R)-3-(3-chlorophenyl)cyclohexan-1-amine
SMILESN[C@H]1CCC[C@@H](c2cccc(Cl)c2)C1
InChIInChI=1S/C12H16ClN/c13-11-5-1-3-9(7-11)10-4-2-6-12(14)8-10/h1,3,5,7,10,12H,2,4,6,8,14H2/t10-,12+/m1/s1
InChIKeyPQUXWNIBHDPXRE-PWSUYJOCSA-N
XLogP3.32
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.72
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-chloro-3-cyclobutylbenzene;methane
CID 178166077
3-[3-(trifluoromethyl)phenyl]cyclohexan-1-amine
CID 64502717
1-chloro-3-(3-pentylcyclohexyl)benzene
CID 141136267
3-(3-bromophenyl)cyclopentan-1-amine
CID 82129934
3-[3-fluoro-4-(trifluoromethyl)phenyl]cyclohexan-1-amine
CID 103852553
3-(4-cyclobutylphenyl)cyclopentan-1-amine
CID 116506752
3-(3,5-difluorophenyl)cyclohexan-1-amine
CID 64503888
3-(3,5-dimethylphenyl)cyclohexan-1-amine
CID 64505534
1-[3-(3-chlorophenyl)cyclobutyl]-2-(cyclobutylmethyl)guanidine
CID 120671626
1-[3-(3-chlorophenyl)cyclobutyl]-2-(cyclobutylmethyl)guanidine;hydroiodide
CID 120671625
cis-(1R,3S)-3-(4-fluorophenyl)cyclohexan-1-amine;hydrochloride
CID 168719722
3-(4-aminocycloheptyl)phenol
CID 115024223

Frequently Asked Questions

What is the IUPAC name of cis-(1S,3R)-3-(3-chlorophenyl)cyclohexan-1-amine?
The IUPAC name of cis-(1S,3R)-3-(3-chlorophenyl)cyclohexan-1-amine (CID 95376050) is cis-(1S,3R)-3-(3-chlorophenyl)cyclohexan-1-amine.
What is the SMILES notation for cis-(1S,3R)-3-(3-chlorophenyl)cyclohexan-1-amine?
The canonical SMILES for cis-(1S,3R)-3-(3-chlorophenyl)cyclohexan-1-amine is N[C@H]1CCC[C@@H](c2cccc(Cl)c2)C1.
What is the InChIKey of cis-(1S,3R)-3-(3-chlorophenyl)cyclohexan-1-amine?
The InChIKey is PQUXWNIBHDPXRE-PWSUYJOCSA-N. The full InChI is InChI=1S/C12H16ClN/c13-11-5-1-3-9(7-11)10-4-2-6-12(14)8-10/h1,3,5,7,10,12H,2,4,6,8,14H2/t10-,12+/m1/s1.
What are the key properties of cis-(1S,3R)-3-(3-chlorophenyl)cyclohexan-1-amine?
cis-(1S,3R)-3-(3-chlorophenyl)cyclohexan-1-amine has a molecular weight of 209.72 g/mol, XLogP of 3.32, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,3R)-3-(3-chlorophenyl)cyclohexan-1-amine is sourced from PubChem (CID 95376050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).