2-[1-(aminomethyl)cyclopentyl]-3-chloro-4-methylphenol

C13H18ClNO — CID 84800201

IUPAC2-[1-(aminomethyl)cyclopentyl]-3-chloro-4-methylphenol
SMILESCc1ccc(O)c(C2(CN)CCCC2)c1Cl
InChIInChI=1S/C13H18ClNO/c1-9-4-5-10(16)11(12(9)14)13(8-15)6-2-3-7-13/h4-5,16H,2-3,6-8,15H2,1H3
InChIKeyCNPLQVVAWMTAMU-UHFFFAOYSA-N
MW239.75 g/mol
LogP3.12
Rot. Bonds2

About 2-[1-(aminomethyl)cyclopentyl]-3-chloro-4-methylphenol

2-[1-(aminomethyl)cyclopentyl]-3-chloro-4-methylphenol (PubChem CID 84800201) has the molecular formula C13H18ClNO and a molecular weight of 239.75 g/mol. Its IUPAC name is 2-[1-(aminomethyl)cyclopentyl]-3-chloro-4-methylphenol.

Molecular Properties

Compound Name2-[1-(aminomethyl)cyclopentyl]-3-chloro-4-methylphenol
PubChem CID84800201
Molecular FormulaC13H18ClNO
Molecular Weight239.75 g/mol
Exact Mass239.11
IUPAC Name2-[1-(aminomethyl)cyclopentyl]-3-chloro-4-methylphenol
SMILESCc1ccc(O)c(C2(CN)CCCC2)c1Cl
InChIInChI=1S/C13H18ClNO/c1-9-4-5-10(16)11(12(9)14)13(8-15)6-2-3-7-13/h4-5,16H,2-3,6-8,15H2,1H3
InChIKeyCNPLQVVAWMTAMU-UHFFFAOYSA-N
XLogP3.12
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.75
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-(aminomethyl)cyclopentyl]-3,4-dimethylphenol
CID 117312988
[1-(3-chloro-2,4-dimethylphenyl)cyclopentyl]methanamine
CID 84799020
2-[1-(aminomethyl)cyclohexyl]-4-chloro-3-fluorophenol
CID 117397913
[1-(6-chloro-2,3-dimethylphenyl)cyclohexyl]methanamine
CID 117382961
[1-(3-chloro-2-fluoro-6-methylphenyl)cyclopentyl]methanamine
CID 84801366
2-[1-(aminomethyl)cyclopentyl]-3-chloro-6-methoxy-4-methylphenol
CID 117427824
3-[1-(aminomethyl)cyclobutyl]-2-chloro-6-methylphenol
CID 117324591
[1-(2-chloro-3-fluoro-6-methylphenyl)cyclobutyl]methanamine
CID 117327869
2-[1-(aminomethyl)cyclohexyl]-3-bromo-6-methylphenol
CID 117480430
3-[1-(aminomethyl)cyclobutyl]-4-chlorobenzene-1,2-diol
CID 117327819
[1-(2-chloro-3-fluoro-4-methylphenyl)cyclopentyl]methanamine
CID 117356566
2-[1-(aminomethyl)cyclopentyl]-4-chlorophenol
CID 131368937

Frequently Asked Questions

What is the IUPAC name of 2-[1-(aminomethyl)cyclopentyl]-3-chloro-4-methylphenol?
The IUPAC name of 2-[1-(aminomethyl)cyclopentyl]-3-chloro-4-methylphenol (CID 84800201) is 2-[1-(aminomethyl)cyclopentyl]-3-chloro-4-methylphenol.
What is the SMILES notation for 2-[1-(aminomethyl)cyclopentyl]-3-chloro-4-methylphenol?
The canonical SMILES for 2-[1-(aminomethyl)cyclopentyl]-3-chloro-4-methylphenol is Cc1ccc(O)c(C2(CN)CCCC2)c1Cl.
What is the InChIKey of 2-[1-(aminomethyl)cyclopentyl]-3-chloro-4-methylphenol?
The InChIKey is CNPLQVVAWMTAMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO/c1-9-4-5-10(16)11(12(9)14)13(8-15)6-2-3-7-13/h4-5,16H,2-3,6-8,15H2,1H3.
What are the key properties of 2-[1-(aminomethyl)cyclopentyl]-3-chloro-4-methylphenol?
2-[1-(aminomethyl)cyclopentyl]-3-chloro-4-methylphenol has a molecular weight of 239.75 g/mol, XLogP of 3.12, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(aminomethyl)cyclopentyl]-3-chloro-4-methylphenol is sourced from PubChem (CID 84800201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).