1-(4-chloro-3,5-dimethylphenyl)cyclopentan-1-amine

C13H18ClN — CID 84789567

IUPAC1-(4-chloro-3,5-dimethylphenyl)cyclopentan-1-amine
SMILESCc1cc(C2(N)CCCC2)cc(C)c1Cl
InChIInChI=1S/C13H18ClN/c1-9-7-11(8-10(2)12(9)14)13(15)5-3-4-6-13/h7-8H,3-6,15H2,1-2H3
InChIKeyGAEBOQZKPOIPKS-UHFFFAOYSA-N
MW223.75 g/mol
LogP3.68
Rot. Bonds1

About 1-(4-chloro-3,5-dimethylphenyl)cyclopentan-1-amine

1-(4-chloro-3,5-dimethylphenyl)cyclopentan-1-amine (PubChem CID 84789567) has the molecular formula C13H18ClN and a molecular weight of 223.75 g/mol. Its IUPAC name is 1-(4-chloro-3,5-dimethylphenyl)cyclopentan-1-amine.

Molecular Properties

Compound Name1-(4-chloro-3,5-dimethylphenyl)cyclopentan-1-amine
PubChem CID84789567
Molecular FormulaC13H18ClN
Molecular Weight223.75 g/mol
Exact Mass223.11
IUPAC Name1-(4-chloro-3,5-dimethylphenyl)cyclopentan-1-amine
SMILESCc1cc(C2(N)CCCC2)cc(C)c1Cl
InChIInChI=1S/C13H18ClN/c1-9-7-11(8-10(2)12(9)14)13(15)5-3-4-6-13/h7-8H,3-6,15H2,1-2H3
InChIKeyGAEBOQZKPOIPKS-UHFFFAOYSA-N
XLogP3.68
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.75
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 84778060
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CID 117356600
1-(4-chloro-3-methoxy-5-methylphenyl)cyclopropan-1-amine
CID 84782091
5-(1-aminocyclohexyl)-3-methylbenzene-1,2-diol
CID 117316475
4-(1-aminocyclohexyl)-2-(difluoromethyl)-6-methylphenol
CID 117391230
5-(1-aminocyclohexyl)-2-bromo-3-methylphenol
CID 84813036
1-(3-bromo-4-fluoro-5-methylphenyl)cyclohexan-1-amine
CID 117461277
1-(3-methoxy-4,5-dimethylphenyl)cyclohexan-1-amine
CID 117339192
1-(4-fluoro-3-methoxy-5-methylphenyl)cyclopentan-1-amine
CID 117320334
1-(4-fluoro-3-methylphenyl)cyclohexan-1-amine
CID 23289263
1-(7-chloro-3-methyl-1H-indol-5-yl)cyclohexan-1-amine
CID 117411581
1-(3-chloro-5-methoxy-4-methylphenyl)cyclohexan-1-amine
CID 117387617

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-3,5-dimethylphenyl)cyclopentan-1-amine?
The IUPAC name of 1-(4-chloro-3,5-dimethylphenyl)cyclopentan-1-amine (CID 84789567) is 1-(4-chloro-3,5-dimethylphenyl)cyclopentan-1-amine.
What is the SMILES notation for 1-(4-chloro-3,5-dimethylphenyl)cyclopentan-1-amine?
The canonical SMILES for 1-(4-chloro-3,5-dimethylphenyl)cyclopentan-1-amine is Cc1cc(C2(N)CCCC2)cc(C)c1Cl.
What is the InChIKey of 1-(4-chloro-3,5-dimethylphenyl)cyclopentan-1-amine?
The InChIKey is GAEBOQZKPOIPKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN/c1-9-7-11(8-10(2)12(9)14)13(15)5-3-4-6-13/h7-8H,3-6,15H2,1-2H3.
What are the key properties of 1-(4-chloro-3,5-dimethylphenyl)cyclopentan-1-amine?
1-(4-chloro-3,5-dimethylphenyl)cyclopentan-1-amine has a molecular weight of 223.75 g/mol, XLogP of 3.68, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-3,5-dimethylphenyl)cyclopentan-1-amine is sourced from PubChem (CID 84789567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).