2-[1-(aminomethyl)cyclopentyl]-6-chloro-4-fluorophenol

C12H15ClFNO — CID 84802258

IUPAC2-[1-(aminomethyl)cyclopentyl]-6-chloro-4-fluorophenol
SMILESNCC1(c2cc(F)cc(Cl)c2O)CCCC1
InChIInChI=1S/C12H15ClFNO/c13-10-6-8(14)5-9(11(10)16)12(7-15)3-1-2-4-12/h5-6,16H,1-4,7,15H2
InChIKeyLFNVRGWUALIJAL-UHFFFAOYSA-N
MW243.71 g/mol
LogP2.96
Rot. Bonds2

About 2-[1-(aminomethyl)cyclopentyl]-6-chloro-4-fluorophenol

2-[1-(aminomethyl)cyclopentyl]-6-chloro-4-fluorophenol (PubChem CID 84802258) has the molecular formula C12H15ClFNO and a molecular weight of 243.71 g/mol. Its IUPAC name is 2-[1-(aminomethyl)cyclopentyl]-6-chloro-4-fluorophenol.

Molecular Properties

Compound Name2-[1-(aminomethyl)cyclopentyl]-6-chloro-4-fluorophenol
PubChem CID84802258
Molecular FormulaC12H15ClFNO
Molecular Weight243.71 g/mol
Exact Mass243.08
IUPAC Name2-[1-(aminomethyl)cyclopentyl]-6-chloro-4-fluorophenol
SMILESNCC1(c2cc(F)cc(Cl)c2O)CCCC1
InChIInChI=1S/C12H15ClFNO/c13-10-6-8(14)5-9(11(10)16)12(7-15)3-1-2-4-12/h5-6,16H,1-4,7,15H2
InChIKeyLFNVRGWUALIJAL-UHFFFAOYSA-N
XLogP2.96
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.71
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[1-(2-chloro-3,5-difluorophenyl)cyclohexyl]methanamine
CID 117403554
2-[1-(aminomethyl)cyclopentyl]-6-[(dimethylamino)methyl]-4-fluorophenol
CID 117420244
2-[1-(aminomethyl)cyclopentyl]-4-fluorophenol
CID 82612123
2-(1-aminocyclobutyl)-6-chloro-4-fluorophenol
CID 117307321
[1-(2-chloro-5-fluoro-3-methoxyphenyl)cyclopentyl]methanamine
CID 117397977
4-[1-(aminomethyl)cyclohexyl]-2-chloro-5-fluorophenol
CID 117397912
2-[1-(aminomethyl)cyclopentyl]-4,5-difluorophenol
CID 84791404
2-[1-(aminomethyl)cyclopentyl]-4-fluoroaniline
CID 117047242
2-[1-(aminomethyl)cyclopentyl]-4-chlorophenol
CID 131368937
4-[1-(aminomethyl)cyclopentyl]-2-chloro-6-methylphenol
CID 84800194
[1-(2,5-difluoro-3-methoxyphenyl)cyclopentyl]methanamine
CID 117355086
[1-(5-chloro-4-fluoro-2-methylphenyl)cyclopentyl]methanamine
CID 117356576

Frequently Asked Questions

What is the IUPAC name of 2-[1-(aminomethyl)cyclopentyl]-6-chloro-4-fluorophenol?
The IUPAC name of 2-[1-(aminomethyl)cyclopentyl]-6-chloro-4-fluorophenol (CID 84802258) is 2-[1-(aminomethyl)cyclopentyl]-6-chloro-4-fluorophenol.
What is the SMILES notation for 2-[1-(aminomethyl)cyclopentyl]-6-chloro-4-fluorophenol?
The canonical SMILES for 2-[1-(aminomethyl)cyclopentyl]-6-chloro-4-fluorophenol is NCC1(c2cc(F)cc(Cl)c2O)CCCC1.
What is the InChIKey of 2-[1-(aminomethyl)cyclopentyl]-6-chloro-4-fluorophenol?
The InChIKey is LFNVRGWUALIJAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClFNO/c13-10-6-8(14)5-9(11(10)16)12(7-15)3-1-2-4-12/h5-6,16H,1-4,7,15H2.
What are the key properties of 2-[1-(aminomethyl)cyclopentyl]-6-chloro-4-fluorophenol?
2-[1-(aminomethyl)cyclopentyl]-6-chloro-4-fluorophenol has a molecular weight of 243.71 g/mol, XLogP of 2.96, 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]-6-chloro-4-fluorophenol is sourced from PubChem (CID 84802258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).