1-[(4-chlorophenyl)methyl]-3-methylcyclopentan-1-amine

C13H18ClN — CID 64516003

IUPAC1-[(4-chlorophenyl)methyl]-3-methylcyclopentan-1-amine
SMILESCC1CCC(N)(Cc2ccc(Cl)cc2)C1
InChIInChI=1S/C13H18ClN/c1-10-6-7-13(15,8-10)9-11-2-4-12(14)5-3-11/h2-5,10H,6-9,15H2,1H3
InChIKeyLMMCNXYYLJCROQ-UHFFFAOYSA-N
MW223.75 g/mol
LogP3.40
Rot. Bonds2

About 1-[(4-chlorophenyl)methyl]-3-methylcyclopentan-1-amine

1-[(4-chlorophenyl)methyl]-3-methylcyclopentan-1-amine (PubChem CID 64516003) has the molecular formula C13H18ClN and a molecular weight of 223.75 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)methyl]-3-methylcyclopentan-1-amine.

Molecular Properties

Compound Name1-[(4-chlorophenyl)methyl]-3-methylcyclopentan-1-amine
PubChem CID64516003
Molecular FormulaC13H18ClN
Molecular Weight223.75 g/mol
Exact Mass223.11
IUPAC Name1-[(4-chlorophenyl)methyl]-3-methylcyclopentan-1-amine
SMILESCC1CCC(N)(Cc2ccc(Cl)cc2)C1
InChIInChI=1S/C13H18ClN/c1-10-6-7-13(15,8-10)9-11-2-4-12(14)5-3-11/h2-5,10H,6-9,15H2,1H3
InChIKeyLMMCNXYYLJCROQ-UHFFFAOYSA-N
XLogP3.40
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 ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-methyl-1-[(4-nitrophenyl)methyl]cyclopentan-1-amine
CID 65420076
1-[(4-fluorophenyl)methyl]-3-methylcyclohexan-1-amine
CID 60798898
1-[(2,5-difluorophenyl)methyl]-3-methylcyclopentan-1-amine
CID 64513632
3-methyl-1-(pyridin-3-ylmethyl)cyclopentan-1-amine
CID 104735900
1-[(2-fluorophenyl)methyl]-3-methylcyclopentan-1-amine
CID 64513406
4-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]cyclohexan-1-amine
CID 62620107
1-[(4-chloro-3-fluorophenyl)methyl]-4-methylcycloheptan-1-amine
CID 114012591
4-[(4-chlorophenyl)methyl]piperidin-4-amine;hydrochloride
CID 66873031
1-[(4-chloro-2-fluorophenyl)methyl]-4-methylcyclohexan-1-amine
CID 114853407
1-[(4-ethylphenyl)methyl]-3,5-dimethylcyclohexan-1-amine
CID 64751651
1-[(5-bromothiophen-2-yl)methyl]-3-methylcyclopentan-1-amine
CID 64513410
3-methyl-1-[(2,4,6-trimethylphenyl)methyl]cyclopentan-1-amine
CID 64513860

Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorophenyl)methyl]-3-methylcyclopentan-1-amine?
The IUPAC name of 1-[(4-chlorophenyl)methyl]-3-methylcyclopentan-1-amine (CID 64516003) is 1-[(4-chlorophenyl)methyl]-3-methylcyclopentan-1-amine.
What is the SMILES notation for 1-[(4-chlorophenyl)methyl]-3-methylcyclopentan-1-amine?
The canonical SMILES for 1-[(4-chlorophenyl)methyl]-3-methylcyclopentan-1-amine is CC1CCC(N)(Cc2ccc(Cl)cc2)C1.
What is the InChIKey of 1-[(4-chlorophenyl)methyl]-3-methylcyclopentan-1-amine?
The InChIKey is LMMCNXYYLJCROQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN/c1-10-6-7-13(15,8-10)9-11-2-4-12(14)5-3-11/h2-5,10H,6-9,15H2,1H3.
What are the key properties of 1-[(4-chlorophenyl)methyl]-3-methylcyclopentan-1-amine?
1-[(4-chlorophenyl)methyl]-3-methylcyclopentan-1-amine has a molecular weight of 223.75 g/mol, XLogP of 3.40, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chlorophenyl)methyl]-3-methylcyclopentan-1-amine is sourced from PubChem (CID 64516003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).