2,5-difluoro-4-[(1S)-1-(methylamino)ethyl]phenol

C9H11F2NO — CID 130706307

IUPAC2,5-difluoro-4-[(1S)-1-(methylamino)ethyl]phenol
SMILESCN[C@@H](C)c1cc(F)c(O)cc1F
InChIInChI=1S/C9H11F2NO/c1-5(12-2)6-3-8(11)9(13)4-7(6)10/h3-5,12-13H,1-2H3/t5-/m0/s1
InChIKeyKJCSUFVOLICJTL-YFKPBYRVSA-N
MW187.19 g/mol
LogP1.95
Rot. Bonds2

About 2,5-difluoro-4-[(1S)-1-(methylamino)ethyl]phenol

2,5-difluoro-4-[(1S)-1-(methylamino)ethyl]phenol (PubChem CID 130706307) has the molecular formula C9H11F2NO and a molecular weight of 187.19 g/mol. Its IUPAC name is 2,5-difluoro-4-[(1S)-1-(methylamino)ethyl]phenol.

Molecular Properties

Compound Name2,5-difluoro-4-[(1S)-1-(methylamino)ethyl]phenol
PubChem CID130706307
Molecular FormulaC9H11F2NO
Molecular Weight187.19 g/mol
Exact Mass187.08
IUPAC Name2,5-difluoro-4-[(1S)-1-(methylamino)ethyl]phenol
SMILESCN[C@@H](C)c1cc(F)c(O)cc1F
InChIInChI=1S/C9H11F2NO/c1-5(12-2)6-3-8(11)9(13)4-7(6)10/h3-5,12-13H,1-2H3/t5-/m0/s1
InChIKeyKJCSUFVOLICJTL-YFKPBYRVSA-N
XLogP1.95
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.19
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-1-(2-bromo-4,5-difluorophenyl)-N-methylethanamine
CID 131091332
2-(2,5-difluoro-4-hydroxyphenyl)propanoic acid
CID 117290622
2-fluoro-4-[(1R)-1-(methylamino)ethyl]phenol
CID 29038942
(1R)-1-(4-chloro-2-fluorophenyl)-N-methylethanamine
CID 55276652
4-[(1R)-1-aminopropyl]-2,5-difluorophenol
CID 55274209
4-chloro-2-[(1S)-1-(methylamino)ethyl]phenol
CID 94343743
2-[(1R)-1-(methylamino)ethyl]-4-methylsulfanylphenol
CID 130639898
4-(1-amino-2-hydroxyethyl)-2-fluoro-5-methylphenol
CID 84769631
4-methyl-2-[1-(methylamino)ethyl]phenol
CID 43504566
4-methyl-2-[(1R)-1-(methylamino)ethyl]phenol
CID 55277105
2,3,6-trifluoro-5-propan-2-ylphenol
CID 58359018
2-[(1R)-1-aminoethyl]-4,5-difluorophenol
CID 55275252

Frequently Asked Questions

What is the IUPAC name of 2,5-difluoro-4-[(1S)-1-(methylamino)ethyl]phenol?
The IUPAC name of 2,5-difluoro-4-[(1S)-1-(methylamino)ethyl]phenol (CID 130706307) is 2,5-difluoro-4-[(1S)-1-(methylamino)ethyl]phenol.
What is the SMILES notation for 2,5-difluoro-4-[(1S)-1-(methylamino)ethyl]phenol?
The canonical SMILES for 2,5-difluoro-4-[(1S)-1-(methylamino)ethyl]phenol is CN[C@@H](C)c1cc(F)c(O)cc1F.
What is the InChIKey of 2,5-difluoro-4-[(1S)-1-(methylamino)ethyl]phenol?
The InChIKey is KJCSUFVOLICJTL-YFKPBYRVSA-N. The full InChI is InChI=1S/C9H11F2NO/c1-5(12-2)6-3-8(11)9(13)4-7(6)10/h3-5,12-13H,1-2H3/t5-/m0/s1.
What are the key properties of 2,5-difluoro-4-[(1S)-1-(methylamino)ethyl]phenol?
2,5-difluoro-4-[(1S)-1-(methylamino)ethyl]phenol has a molecular weight of 187.19 g/mol, XLogP of 1.95, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-difluoro-4-[(1S)-1-(methylamino)ethyl]phenol is sourced from PubChem (CID 130706307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).