1-[(3-chlorophenyl)methyl]-N-methylcyclopentan-1-amine

C13H18ClN — CID 82128067

IUPAC1-[(3-chlorophenyl)methyl]-N-methylcyclopentan-1-amine
SMILESCNC1(Cc2cccc(Cl)c2)CCCC1
InChIInChI=1S/C13H18ClN/c1-15-13(7-2-3-8-13)10-11-5-4-6-12(14)9-11/h4-6,9,15H,2-3,7-8,10H2,1H3
InChIKeyPKDZZHLMNODXDN-UHFFFAOYSA-N
MW223.75 g/mol
LogP3.41
Rot. Bonds3

About 1-[(3-chlorophenyl)methyl]-N-methylcyclopentan-1-amine

1-[(3-chlorophenyl)methyl]-N-methylcyclopentan-1-amine (PubChem CID 82128067) has the molecular formula C13H18ClN and a molecular weight of 223.75 g/mol. Its IUPAC name is 1-[(3-chlorophenyl)methyl]-N-methylcyclopentan-1-amine.

Molecular Properties

Compound Name1-[(3-chlorophenyl)methyl]-N-methylcyclopentan-1-amine
PubChem CID82128067
Molecular FormulaC13H18ClN
Molecular Weight223.75 g/mol
Exact Mass223.11
IUPAC Name1-[(3-chlorophenyl)methyl]-N-methylcyclopentan-1-amine
SMILESCNC1(Cc2cccc(Cl)c2)CCCC1
InChIInChI=1S/C13H18ClN/c1-15-13(7-2-3-8-13)10-11-5-4-6-12(14)9-11/h4-6,9,15H,2-3,7-8,10H2,1H3
InChIKeyPKDZZHLMNODXDN-UHFFFAOYSA-N
XLogP3.41
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.75
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-methyl-1-[(3-methylphenyl)methyl]cyclohexan-1-amine
CID 82127246
1-[1-[(3-chlorophenyl)methyl]cyclopentyl]-N-methylmethanamine
CID 62726411
1-[(3,4-dichlorophenyl)methyl]-N-methylcyclohexan-1-amine
CID 94697451
1-[(3-methoxyphenyl)methyl]-N-methylcyclohexan-1-amine
CID 82129111
1-[(3-chlorophenyl)methyl]cyclopentan-1-ol
CID 60798466
1-[1-[(3-chlorophenyl)methyl]cyclopropyl]-N-methylmethanamine
CID 66024867
1-[(3-chlorophenyl)methyl]cycloheptan-1-ol
CID 60797404
1-[(2,5-dichlorophenyl)methyl]-N-methylcyclopropan-1-amine
CID 171613045
2-[(3-chlorophenyl)methyl]-2-methylpyrrolidine;hydrochloride
CID 122156828
1-[1-[(3-chlorophenyl)methyl]cyclopropyl]ethanamine
CID 82284005
1-[1-[(3-chlorophenyl)methyl]-3,4-dihydro-2H-naphthalen-1-yl]-N-methylmethanamine
CID 63501769
1-[[(3-chlorophenyl)methylamino]methyl]-N,N-dimethylcyclohexan-1-amine
CID 28530508

Frequently Asked Questions

What is the IUPAC name of 1-[(3-chlorophenyl)methyl]-N-methylcyclopentan-1-amine?
The IUPAC name of 1-[(3-chlorophenyl)methyl]-N-methylcyclopentan-1-amine (CID 82128067) is 1-[(3-chlorophenyl)methyl]-N-methylcyclopentan-1-amine.
What is the SMILES notation for 1-[(3-chlorophenyl)methyl]-N-methylcyclopentan-1-amine?
The canonical SMILES for 1-[(3-chlorophenyl)methyl]-N-methylcyclopentan-1-amine is CNC1(Cc2cccc(Cl)c2)CCCC1.
What is the InChIKey of 1-[(3-chlorophenyl)methyl]-N-methylcyclopentan-1-amine?
The InChIKey is PKDZZHLMNODXDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN/c1-15-13(7-2-3-8-13)10-11-5-4-6-12(14)9-11/h4-6,9,15H,2-3,7-8,10H2,1H3.
What are the key properties of 1-[(3-chlorophenyl)methyl]-N-methylcyclopentan-1-amine?
1-[(3-chlorophenyl)methyl]-N-methylcyclopentan-1-amine has a molecular weight of 223.75 g/mol, XLogP of 3.41, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-chlorophenyl)methyl]-N-methylcyclopentan-1-amine is sourced from PubChem (CID 82128067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).