1-(5-chloro-2,4-dimethylphenyl)cyclopentan-1-amine

C13H18ClN — CID 84789566

IUPAC1-(5-chloro-2,4-dimethylphenyl)cyclopentan-1-amine
SMILESCc1cc(C)c(C2(N)CCCC2)cc1Cl
InChIInChI=1S/C13H18ClN/c1-9-7-10(2)12(14)8-11(9)13(15)5-3-4-6-13/h7-8H,3-6,15H2,1-2H3
InChIKeySWCRDOKPPDPQDJ-UHFFFAOYSA-N
MW223.75 g/mol
LogP3.68
Rot. Bonds1

About 1-(5-chloro-2,4-dimethylphenyl)cyclopentan-1-amine

1-(5-chloro-2,4-dimethylphenyl)cyclopentan-1-amine (PubChem CID 84789566) has the molecular formula C13H18ClN and a molecular weight of 223.75 g/mol. Its IUPAC name is 1-(5-chloro-2,4-dimethylphenyl)cyclopentan-1-amine.

Molecular Properties

Compound Name1-(5-chloro-2,4-dimethylphenyl)cyclopentan-1-amine
PubChem CID84789566
Molecular FormulaC13H18ClN
Molecular Weight223.75 g/mol
Exact Mass223.11
IUPAC Name1-(5-chloro-2,4-dimethylphenyl)cyclopentan-1-amine
SMILESCc1cc(C)c(C2(N)CCCC2)cc1Cl
InChIInChI=1S/C13H18ClN/c1-9-7-10(2)12(14)8-11(9)13(15)5-3-4-6-13/h7-8H,3-6,15H2,1-2H3
InChIKeySWCRDOKPPDPQDJ-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

1-(5-chloro-2,4-dimethylphenyl)cyclohexan-1-amine
CID 84799014
1-(4-chloro-5-fluoro-2-methylphenyl)cyclopentan-1-amine
CID 84791905
1-(4-chloro-5-methoxy-2-methylphenyl)cyclopentan-1-amine
CID 84800208
1-(5-chloro-8-methyl-2,3-dihydro-1,4-benzodioxin-7-yl)cyclopentan-1-amine
CID 117422892
5-(1-aminocyclopentyl)-2-fluoro-4-methylphenol
CID 84780716
1-(5-chloro-2-fluoro-3-methylphenyl)cyclopentan-1-amine
CID 84791900
1-(4-chloro-3,5-dimethylphenyl)cyclopentan-1-amine
CID 84789567
1-(4-fluoro-5-methoxy-2-methylphenyl)cyclopentan-1-amine
CID 84789200
1-(3,3,8-trimethyl-2,4-dihydro-1,5-benzodioxepin-7-yl)cyclopentan-1-amine
CID 117440829
1-(4-bromo-2-methylphenyl)cyclohexan-1-amine
CID 82305048
1-(3-chloro-5-fluoro-2,4-dimethylphenyl)cyclopentan-1-amine
CID 84801370
2-(1-aminocyclopentyl)-4-fluoro-5-methylphenol
CID 117298959

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2,4-dimethylphenyl)cyclopentan-1-amine?
The IUPAC name of 1-(5-chloro-2,4-dimethylphenyl)cyclopentan-1-amine (CID 84789566) is 1-(5-chloro-2,4-dimethylphenyl)cyclopentan-1-amine.
What is the SMILES notation for 1-(5-chloro-2,4-dimethylphenyl)cyclopentan-1-amine?
The canonical SMILES for 1-(5-chloro-2,4-dimethylphenyl)cyclopentan-1-amine is Cc1cc(C)c(C2(N)CCCC2)cc1Cl.
What is the InChIKey of 1-(5-chloro-2,4-dimethylphenyl)cyclopentan-1-amine?
The InChIKey is SWCRDOKPPDPQDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN/c1-9-7-10(2)12(14)8-11(9)13(15)5-3-4-6-13/h7-8H,3-6,15H2,1-2H3.
What are the key properties of 1-(5-chloro-2,4-dimethylphenyl)cyclopentan-1-amine?
1-(5-chloro-2,4-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-(5-chloro-2,4-dimethylphenyl)cyclopentan-1-amine is sourced from PubChem (CID 84789566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).