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

C13H18ClN — CID 116538936

IUPAC3-[(3-chlorophenyl)methyl]-3-methylcyclopentan-1-amine
SMILESCC1(Cc2cccc(Cl)c2)CCC(N)C1
InChIInChI=1S/C13H18ClN/c1-13(6-5-12(15)9-13)8-10-3-2-4-11(14)7-10/h2-4,7,12H,5-6,8-9,15H2,1H3
InChIKeyYDEGMNDNUOKEAF-UHFFFAOYSA-N
MW223.75 g/mol
LogP3.40
Rot. Bonds2

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

3-[(3-chlorophenyl)methyl]-3-methylcyclopentan-1-amine (PubChem CID 116538936) has the molecular formula C13H18ClN and a molecular weight of 223.75 g/mol. Its IUPAC name is 3-[(3-chlorophenyl)methyl]-3-methylcyclopentan-1-amine.

Molecular Properties

Compound Name3-[(3-chlorophenyl)methyl]-3-methylcyclopentan-1-amine
PubChem CID116538936
Molecular FormulaC13H18ClN
Molecular Weight223.75 g/mol
Exact Mass223.11
IUPAC Name3-[(3-chlorophenyl)methyl]-3-methylcyclopentan-1-amine
SMILESCC1(Cc2cccc(Cl)c2)CCC(N)C1
InChIInChI=1S/C13H18ClN/c1-13(6-5-12(15)9-13)8-10-3-2-4-11(14)7-10/h2-4,7,12H,5-6,8-9,15H2,1H3
InChIKeyYDEGMNDNUOKEAF-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-[(3,4-dichlorophenyl)methyl]-3-methylcyclopentan-1-amine
CID 116538677
3-[(3-chloro-4-fluorophenyl)methyl]-3-methylcyclopentan-1-amine
CID 103041673
[1-[(3-chlorophenyl)methyl]-4,4-dimethylcyclohexyl]methanamine
CID 65391761
3-[(3-fluoro-4-methoxyphenyl)methyl]-3-methylcyclopentan-1-amine
CID 116538891
2-[(3-chlorophenyl)methyl]-1,3,3-trimethylbicyclo[2.2.1]heptan-2-ol
CID 115401361
1-[(3-chlorophenyl)methyl]-4,4-dimethylcyclohexane-1-carbonitrile
CID 65392356
[1-[(3-chlorophenyl)methyl]-4-ethylcyclohexyl]methanamine
CID 65392864
4-butyl-1-[(3-chlorophenyl)methyl]cyclohexan-1-amine
CID 65020395
1-[(3-chlorophenyl)methyl]-3-(2-methylpropyl)cyclohexan-1-amine
CID 107430001
1-[(3-chlorophenyl)methyl]-4-methylcyclohexane-1-carbonitrile
CID 65376639
1-[1-[(3-chlorophenyl)methyl]cyclopropyl]ethanamine
CID 82284005
7-[(3-chlorophenyl)methyl]bicyclo[4.1.0]heptan-7-amine
CID 79331073

Frequently Asked Questions

What is the IUPAC name of 3-[(3-chlorophenyl)methyl]-3-methylcyclopentan-1-amine?
The IUPAC name of 3-[(3-chlorophenyl)methyl]-3-methylcyclopentan-1-amine (CID 116538936) is 3-[(3-chlorophenyl)methyl]-3-methylcyclopentan-1-amine.
What is the SMILES notation for 3-[(3-chlorophenyl)methyl]-3-methylcyclopentan-1-amine?
The canonical SMILES for 3-[(3-chlorophenyl)methyl]-3-methylcyclopentan-1-amine is CC1(Cc2cccc(Cl)c2)CCC(N)C1.
What is the InChIKey of 3-[(3-chlorophenyl)methyl]-3-methylcyclopentan-1-amine?
The InChIKey is YDEGMNDNUOKEAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN/c1-13(6-5-12(15)9-13)8-10-3-2-4-11(14)7-10/h2-4,7,12H,5-6,8-9,15H2,1H3.
What are the key properties of 3-[(3-chlorophenyl)methyl]-3-methylcyclopentan-1-amine?
3-[(3-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 3-[(3-chlorophenyl)methyl]-3-methylcyclopentan-1-amine is sourced from PubChem (CID 116538936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).