4-[1-(aminomethyl)cyclopentyl]-3,5-difluorophenol

C12H15F2NO — CID 84791406

IUPAC4-[1-(aminomethyl)cyclopentyl]-3,5-difluorophenol
SMILESNCC1(c2c(F)cc(O)cc2F)CCCC1
InChIInChI=1S/C12H15F2NO/c13-9-5-8(16)6-10(14)11(9)12(7-15)3-1-2-4-12/h5-6,16H,1-4,7,15H2
InChIKeyYSWBKZJGQNMXRN-UHFFFAOYSA-N
MW227.25 g/mol
LogP2.44
Rot. Bonds2

About 4-[1-(aminomethyl)cyclopentyl]-3,5-difluorophenol

4-[1-(aminomethyl)cyclopentyl]-3,5-difluorophenol (PubChem CID 84791406) has the molecular formula C12H15F2NO and a molecular weight of 227.25 g/mol. Its IUPAC name is 4-[1-(aminomethyl)cyclopentyl]-3,5-difluorophenol.

Molecular Properties

Compound Name4-[1-(aminomethyl)cyclopentyl]-3,5-difluorophenol
PubChem CID84791406
Molecular FormulaC12H15F2NO
Molecular Weight227.25 g/mol
Exact Mass227.11
IUPAC Name4-[1-(aminomethyl)cyclopentyl]-3,5-difluorophenol
SMILESNCC1(c2c(F)cc(O)cc2F)CCCC1
InChIInChI=1S/C12H15F2NO/c13-9-5-8(16)6-10(14)11(9)12(7-15)3-1-2-4-12/h5-6,16H,1-4,7,15H2
InChIKeyYSWBKZJGQNMXRN-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

[1-(4-chloro-2,6-difluorophenyl)cyclopentyl]methanamine
CID 117366660
[1-(2,6-difluorophenyl)cyclopentyl]methanamine
CID 47002854
[1-(2,6-difluoro-4-methoxyphenyl)cyclohexyl]methanamine
CID 117391281
[1-(3-bromo-2,4,6-trifluorophenyl)cyclopentyl]methanamine
CID 117492969
[1-(4-chloro-2,6-difluorophenyl)cyclopropyl]methanamine
CID 117310224
2-[1-(aminomethyl)cyclopentyl]-4,5-difluorophenol
CID 84791404
3-[1-(aminomethyl)cyclopentyl]-4-fluoro-5-methylphenol
CID 117320311
2-[1-(aminomethyl)cyclobutyl]-4-chloro-6-fluoro-3-methylphenol
CID 117361338
5-[1-(aminomethyl)cyclopentyl]-2-bromo-3-fluorophenol
CID 84814384
2-[1-(aminomethyl)cyclopentyl]-4-fluorophenol
CID 82612123
[1-(2,6-difluoro-3-methylphenyl)cyclopentyl]methanamine
CID 117323755
2-[1-(aminomethyl)cyclohexyl]-3-chloro-4-fluoro-6-methoxyphenol
CID 117464477

Frequently Asked Questions

What is the IUPAC name of 4-[1-(aminomethyl)cyclopentyl]-3,5-difluorophenol?
The IUPAC name of 4-[1-(aminomethyl)cyclopentyl]-3,5-difluorophenol (CID 84791406) is 4-[1-(aminomethyl)cyclopentyl]-3,5-difluorophenol.
What is the SMILES notation for 4-[1-(aminomethyl)cyclopentyl]-3,5-difluorophenol?
The canonical SMILES for 4-[1-(aminomethyl)cyclopentyl]-3,5-difluorophenol is NCC1(c2c(F)cc(O)cc2F)CCCC1.
What is the InChIKey of 4-[1-(aminomethyl)cyclopentyl]-3,5-difluorophenol?
The InChIKey is YSWBKZJGQNMXRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F2NO/c13-9-5-8(16)6-10(14)11(9)12(7-15)3-1-2-4-12/h5-6,16H,1-4,7,15H2.
What are the key properties of 4-[1-(aminomethyl)cyclopentyl]-3,5-difluorophenol?
4-[1-(aminomethyl)cyclopentyl]-3,5-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 4-[1-(aminomethyl)cyclopentyl]-3,5-difluorophenol is sourced from PubChem (CID 84791406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).