2-[1-(aminomethyl)cyclopentyl]-4,5-difluorophenol

C12H15F2NO — CID 84791404

IUPAC2-[1-(aminomethyl)cyclopentyl]-4,5-difluorophenol
SMILESNCC1(c2cc(F)c(F)cc2O)CCCC1
InChIInChI=1S/C12H15F2NO/c13-9-5-8(11(16)6-10(9)14)12(7-15)3-1-2-4-12/h5-6,16H,1-4,7,15H2
InChIKeyXAGIYDRNHLEWCR-UHFFFAOYSA-N
MW227.25 g/mol
LogP2.44
Rot. Bonds2

About 2-[1-(aminomethyl)cyclopentyl]-4,5-difluorophenol

2-[1-(aminomethyl)cyclopentyl]-4,5-difluorophenol (PubChem CID 84791404) has the molecular formula C12H15F2NO and a molecular weight of 227.25 g/mol. Its IUPAC name is 2-[1-(aminomethyl)cyclopentyl]-4,5-difluorophenol.

Molecular Properties

Compound Name2-[1-(aminomethyl)cyclopentyl]-4,5-difluorophenol
PubChem CID84791404
Molecular FormulaC12H15F2NO
Molecular Weight227.25 g/mol
Exact Mass227.11
IUPAC Name2-[1-(aminomethyl)cyclopentyl]-4,5-difluorophenol
SMILESNCC1(c2cc(F)c(F)cc2O)CCCC1
InChIInChI=1S/C12H15F2NO/c13-9-5-8(11(16)6-10(9)14)12(7-15)3-1-2-4-12/h5-6,16H,1-4,7,15H2
InChIKeyXAGIYDRNHLEWCR-UHFFFAOYSA-N
XLogP2.44
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.25
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-(aminomethyl)cyclopentyl]-4-fluorophenol
CID 82612123
4-[1-(aminomethyl)cyclohexyl]-2-chloro-5-fluorophenol
CID 117397912
2-[1-(aminomethyl)cyclopentyl]-5-methylbenzene-1,4-diol
CID 117316086
2-[1-(aminomethyl)cyclopentyl]-4-chlorophenol
CID 131368937
2-[1-(aminomethyl)cyclopentyl]-5-chlorophenol
CID 131279076
[1-(2-bromo-4,5-difluorophenyl)cyclobutyl]methanamine
CID 117441687
6-[1-(aminomethyl)cyclopentyl]-1,3-dihydro-2-benzofuran-5-ol
CID 117338492
4-[1-(aminomethyl)cyclopentyl]-3,5-difluorophenol
CID 84791406
4-[1-(aminomethyl)cyclopropyl]-5-fluoro-2-methylphenol
CID 117285302
2-[1-(aminomethyl)cyclohexyl]-4-methylphenol
CID 82615959
6-[1-(aminomethyl)cyclopropyl]-2,3,4-trifluorophenol
CID 84785078
2-[1-(aminomethyl)cyclohexyl]-5-(difluoromethyl)phenol
CID 117391271

Frequently Asked Questions

What is the IUPAC name of 2-[1-(aminomethyl)cyclopentyl]-4,5-difluorophenol?
The IUPAC name of 2-[1-(aminomethyl)cyclopentyl]-4,5-difluorophenol (CID 84791404) is 2-[1-(aminomethyl)cyclopentyl]-4,5-difluorophenol.
What is the SMILES notation for 2-[1-(aminomethyl)cyclopentyl]-4,5-difluorophenol?
The canonical SMILES for 2-[1-(aminomethyl)cyclopentyl]-4,5-difluorophenol is NCC1(c2cc(F)c(F)cc2O)CCCC1.
What is the InChIKey of 2-[1-(aminomethyl)cyclopentyl]-4,5-difluorophenol?
The InChIKey is XAGIYDRNHLEWCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F2NO/c13-9-5-8(11(16)6-10(9)14)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]-4,5-difluorophenol?
2-[1-(aminomethyl)cyclopentyl]-4,5-difluorophenol has a molecular weight of 227.25 g/mol, XLogP of 2.44, 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]-4,5-difluorophenol is sourced from PubChem (CID 84791404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).