2-[1-(aminomethyl)cyclopentyl]-3-chloro-6-methoxy-4-methylphenol

C14H20ClNO2 — CID 117427824

IUPAC2-[1-(aminomethyl)cyclopentyl]-3-chloro-6-methoxy-4-methylphenol
SMILESCOc1cc(C)c(Cl)c(C2(CN)CCCC2)c1O
InChIInChI=1S/C14H20ClNO2/c1-9-7-10(18-2)13(17)11(12(9)15)14(8-16)5-3-4-6-14/h7,17H,3-6,8,16H2,1-2H3
InChIKeyXBNZTAXYEGQTNV-UHFFFAOYSA-N
MW269.77 g/mol
LogP3.13
Rot. Bonds3

About 2-[1-(aminomethyl)cyclopentyl]-3-chloro-6-methoxy-4-methylphenol

2-[1-(aminomethyl)cyclopentyl]-3-chloro-6-methoxy-4-methylphenol (PubChem CID 117427824) has the molecular formula C14H20ClNO2 and a molecular weight of 269.77 g/mol. Its IUPAC name is 2-[1-(aminomethyl)cyclopentyl]-3-chloro-6-methoxy-4-methylphenol.

Molecular Properties

Compound Name2-[1-(aminomethyl)cyclopentyl]-3-chloro-6-methoxy-4-methylphenol
PubChem CID117427824
Molecular FormulaC14H20ClNO2
Molecular Weight269.77 g/mol
Exact Mass269.12
IUPAC Name2-[1-(aminomethyl)cyclopentyl]-3-chloro-6-methoxy-4-methylphenol
SMILESCOc1cc(C)c(Cl)c(C2(CN)CCCC2)c1O
InChIInChI=1S/C14H20ClNO2/c1-9-7-10(18-2)13(17)11(12(9)15)14(8-16)5-3-4-6-14/h7,17H,3-6,8,16H2,1-2H3
InChIKeyXBNZTAXYEGQTNV-UHFFFAOYSA-N
XLogP3.13
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.77
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(aminomethyl)cyclohexyl]-3-chloro-4-fluoro-6-methoxyphenol
CID 117464477
[1-(3-chloro-6-methoxy-2,4-dimethylphenyl)cyclobutyl]methanamine
CID 116963562
2-(1-aminocyclohexyl)-3-chloro-6-methoxy-4-methylphenol
CID 117427699
2-[1-(aminomethyl)cyclopentyl]-4-chloro-3-fluoro-6-methoxyphenol
CID 117437146
2-[1-(aminomethyl)cyclopropyl]-3-chloro-4-ethyl-6-methoxyphenol
CID 117392546
2-[1-(aminomethyl)cyclobutyl]-6-methoxy-3-methylphenol
CID 117316580
[1-(3-chloro-2-methoxy-4,6-dimethylphenyl)cyclopentyl]methanamine
CID 117423426
2-[1-(aminomethyl)cyclopentyl]-3-chloro-4-methylphenol
CID 84800201
[1-(2,3-dimethoxy-5,6-dimethylphenyl)cyclohexyl]methanamine
CID 117444899
[1-(2,4-dimethoxy-3,6-dimethylphenyl)cyclohexyl]methanamine
CID 117444906
[1-(4-chloro-2,3-dimethoxy-6-methylphenyl)cyclopentyl]methanamine
CID 117456529
[1-(3-chloro-2,6-difluoro-4-methoxyphenyl)cyclopentyl]methanamine
CID 117441409

Frequently Asked Questions

What is the IUPAC name of 2-[1-(aminomethyl)cyclopentyl]-3-chloro-6-methoxy-4-methylphenol?
The IUPAC name of 2-[1-(aminomethyl)cyclopentyl]-3-chloro-6-methoxy-4-methylphenol (CID 117427824) is 2-[1-(aminomethyl)cyclopentyl]-3-chloro-6-methoxy-4-methylphenol.
What is the SMILES notation for 2-[1-(aminomethyl)cyclopentyl]-3-chloro-6-methoxy-4-methylphenol?
The canonical SMILES for 2-[1-(aminomethyl)cyclopentyl]-3-chloro-6-methoxy-4-methylphenol is COc1cc(C)c(Cl)c(C2(CN)CCCC2)c1O.
What is the InChIKey of 2-[1-(aminomethyl)cyclopentyl]-3-chloro-6-methoxy-4-methylphenol?
The InChIKey is XBNZTAXYEGQTNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO2/c1-9-7-10(18-2)13(17)11(12(9)15)14(8-16)5-3-4-6-14/h7,17H,3-6,8,16H2,1-2H3.
What are the key properties of 2-[1-(aminomethyl)cyclopentyl]-3-chloro-6-methoxy-4-methylphenol?
2-[1-(aminomethyl)cyclopentyl]-3-chloro-6-methoxy-4-methylphenol has a molecular weight of 269.77 g/mol, XLogP of 3.13, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(aminomethyl)cyclopentyl]-3-chloro-6-methoxy-4-methylphenol is sourced from PubChem (CID 117427824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).