[2-(3-chloro-4-methylphenyl)cyclopentyl]methanamine

C13H18ClN — CID 107561109

IUPAC[2-(3-chloro-4-methylphenyl)cyclopentyl]methanamine
SMILESCc1ccc(C2CCCC2CN)cc1Cl
InChIInChI=1S/C13H18ClN/c1-9-5-6-10(7-13(9)14)12-4-2-3-11(12)8-15/h5-7,11-12H,2-4,8,15H2,1H3
InChIKeyOXPUIMXXHQPNID-UHFFFAOYSA-N
MW223.75 g/mol
LogP3.49
Rot. Bonds2

About [2-(3-chloro-4-methylphenyl)cyclopentyl]methanamine

[2-(3-chloro-4-methylphenyl)cyclopentyl]methanamine (PubChem CID 107561109) has the molecular formula C13H18ClN and a molecular weight of 223.75 g/mol. Its IUPAC name is [2-(3-chloro-4-methylphenyl)cyclopentyl]methanamine.

Molecular Properties

Compound Name[2-(3-chloro-4-methylphenyl)cyclopentyl]methanamine
PubChem CID107561109
Molecular FormulaC13H18ClN
Molecular Weight223.75 g/mol
Exact Mass223.11
IUPAC Name[2-(3-chloro-4-methylphenyl)cyclopentyl]methanamine
SMILESCc1ccc(C2CCCC2CN)cc1Cl
InChIInChI=1S/C13H18ClN/c1-9-5-6-10(7-13(9)14)12-4-2-3-11(12)8-15/h5-7,11-12H,2-4,8,15H2,1H3
InChIKeyOXPUIMXXHQPNID-UHFFFAOYSA-N
XLogP3.49
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.75
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

[2-(3-chloro-4-methylphenyl)cycloheptyl]methanamine
CID 107561112
[2-(3,4-dichlorophenyl)cyclopentyl]methanamine
CID 81010012
2-(3-chloro-4-methylphenyl)cyclopentan-1-amine
CID 103852573
1-chloro-2-(3-chloro-4-methylphenyl)cycloheptane
CID 107560894
[2-(3-chloro-4-methylphenyl)-1-cyclopropylpyrrolidin-3-yl]methanamine
CID 106818587
N-[[2-(3-chloro-4-methylphenyl)cyclobutyl]methyl]propan-1-amine
CID 107561131
[2-(4-cyclobutylphenyl)cycloheptyl]methanamine
CID 116507071
[2-(4-propylphenyl)cyclopentyl]methanamine
CID 81010562
2-(3-chloro-4-methylphenyl)-N-propylcycloheptan-1-amine
CID 107560907
2-chloro-4-(2-ethylcyclopentyl)-1-methylsulfonylbenzene
CID 174372786
[(1S,2S)-2-(3,4-dichlorophenyl)cyclopropyl]methanamine
CID 94556817
3-(3-chloro-4-methylphenyl)-2-methylpyrrolidine
CID 106818311

Frequently Asked Questions

What is the IUPAC name of [2-(3-chloro-4-methylphenyl)cyclopentyl]methanamine?
The IUPAC name of [2-(3-chloro-4-methylphenyl)cyclopentyl]methanamine (CID 107561109) is [2-(3-chloro-4-methylphenyl)cyclopentyl]methanamine.
What is the SMILES notation for [2-(3-chloro-4-methylphenyl)cyclopentyl]methanamine?
The canonical SMILES for [2-(3-chloro-4-methylphenyl)cyclopentyl]methanamine is Cc1ccc(C2CCCC2CN)cc1Cl.
What is the InChIKey of [2-(3-chloro-4-methylphenyl)cyclopentyl]methanamine?
The InChIKey is OXPUIMXXHQPNID-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN/c1-9-5-6-10(7-13(9)14)12-4-2-3-11(12)8-15/h5-7,11-12H,2-4,8,15H2,1H3.
What are the key properties of [2-(3-chloro-4-methylphenyl)cyclopentyl]methanamine?
[2-(3-chloro-4-methylphenyl)cyclopentyl]methanamine has a molecular weight of 223.75 g/mol, XLogP of 3.49, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-chloro-4-methylphenyl)cyclopentyl]methanamine is sourced from PubChem (CID 107561109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).