2-[1-(aminomethyl)cyclopentyl]-4-chloro-3-fluoro-6-methoxyphenol

C13H17ClFNO2 — CID 117437146

IUPAC2-[1-(aminomethyl)cyclopentyl]-4-chloro-3-fluoro-6-methoxyphenol
SMILESCOc1cc(Cl)c(F)c(C2(CN)CCCC2)c1O
InChIInChI=1S/C13H17ClFNO2/c1-18-9-6-8(14)11(15)10(12(9)17)13(7-16)4-2-3-5-13/h6,17H,2-5,7,16H2,1H3
InChIKeyIFEAASKCIUFKCY-UHFFFAOYSA-N
MW273.73 g/mol
LogP2.96
Rot. Bonds3

About 2-[1-(aminomethyl)cyclopentyl]-4-chloro-3-fluoro-6-methoxyphenol

2-[1-(aminomethyl)cyclopentyl]-4-chloro-3-fluoro-6-methoxyphenol (PubChem CID 117437146) has the molecular formula C13H17ClFNO2 and a molecular weight of 273.73 g/mol. Its IUPAC name is 2-[1-(aminomethyl)cyclopentyl]-4-chloro-3-fluoro-6-methoxyphenol.

Molecular Properties

Compound Name2-[1-(aminomethyl)cyclopentyl]-4-chloro-3-fluoro-6-methoxyphenol
PubChem CID117437146
Molecular FormulaC13H17ClFNO2
Molecular Weight273.73 g/mol
Exact Mass273.09
IUPAC Name2-[1-(aminomethyl)cyclopentyl]-4-chloro-3-fluoro-6-methoxyphenol
SMILESCOc1cc(Cl)c(F)c(C2(CN)CCCC2)c1O
InChIInChI=1S/C13H17ClFNO2/c1-18-9-6-8(14)11(15)10(12(9)17)13(7-16)4-2-3-5-13/h6,17H,2-5,7,16H2,1H3
InChIKeyIFEAASKCIUFKCY-UHFFFAOYSA-N
XLogP2.96
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.73
LogP ≤ 52.96
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
2-[1-(aminomethyl)cyclopentyl]-3-chloro-6-methoxy-4-methylphenol
CID 117427824
2-(1-aminocyclopropyl)-4-chloro-3-fluoro-6-methoxyphenol
CID 117335344
[1-(2,6-difluoro-3,5-dimethoxyphenyl)cyclohexyl]methanamine
CID 117459547
[1-(3-chloro-2,6-difluoro-4-methoxyphenyl)cyclopentyl]methanamine
CID 117441409
[1-(2-fluoro-3,6-dimethoxyphenyl)cyclopentyl]methanamine
CID 117386175
3-[1-(aminomethyl)cyclohexyl]-2-fluoro-4,5-dimethoxyphenol
CID 117455550
2-[1-(aminomethyl)cyclopropyl]-3-chloro-4-ethyl-6-methoxyphenol
CID 117392546
[1-(2-chloro-4,5-dimethoxyphenyl)cyclohexyl]methanamine
CID 117456508
2-[1-(aminomethyl)cyclopropyl]-6-chloro-3-fluoro-4-methylphenol
CID 84793301
2-[1-(aminomethyl)cyclopentyl]-5-chloro-4-methoxyphenol
CID 117392957
[1-(5-chloro-3,4-difluoro-2-methoxyphenyl)cyclopentyl]methanamine
CID 117441379

Frequently Asked Questions

What is the IUPAC name of 2-[1-(aminomethyl)cyclopentyl]-4-chloro-3-fluoro-6-methoxyphenol?
The IUPAC name of 2-[1-(aminomethyl)cyclopentyl]-4-chloro-3-fluoro-6-methoxyphenol (CID 117437146) is 2-[1-(aminomethyl)cyclopentyl]-4-chloro-3-fluoro-6-methoxyphenol.
What is the SMILES notation for 2-[1-(aminomethyl)cyclopentyl]-4-chloro-3-fluoro-6-methoxyphenol?
The canonical SMILES for 2-[1-(aminomethyl)cyclopentyl]-4-chloro-3-fluoro-6-methoxyphenol is COc1cc(Cl)c(F)c(C2(CN)CCCC2)c1O.
What is the InChIKey of 2-[1-(aminomethyl)cyclopentyl]-4-chloro-3-fluoro-6-methoxyphenol?
The InChIKey is IFEAASKCIUFKCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClFNO2/c1-18-9-6-8(14)11(15)10(12(9)17)13(7-16)4-2-3-5-13/h6,17H,2-5,7,16H2,1H3.
What are the key properties of 2-[1-(aminomethyl)cyclopentyl]-4-chloro-3-fluoro-6-methoxyphenol?
2-[1-(aminomethyl)cyclopentyl]-4-chloro-3-fluoro-6-methoxyphenol has a molecular weight of 273.73 g/mol, XLogP of 2.96, 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]-4-chloro-3-fluoro-6-methoxyphenol is sourced from PubChem (CID 117437146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).