(1S)-2-amino-1-(2,5-difluoro-4-methylphenyl)ethanol

C9H11F2NO — CID 83001188

IUPAC(1S)-2-amino-1-(2,5-difluoro-4-methylphenyl)ethanol
SMILESCc1cc(F)c([C@H](O)CN)cc1F
InChIInChI=1S/C9H11F2NO/c1-5-2-8(11)6(3-7(5)10)9(13)4-12/h2-3,9,13H,4,12H2,1H3/t9-/m1/s1
InChIKeyQMOXZEBGEDEZFT-SECBINFHSA-N
MW187.19 g/mol
LogP1.27
Rot. Bonds2

About (1S)-2-amino-1-(2,5-difluoro-4-methylphenyl)ethanol

(1S)-2-amino-1-(2,5-difluoro-4-methylphenyl)ethanol (PubChem CID 83001188) has the molecular formula C9H11F2NO and a molecular weight of 187.19 g/mol. Its IUPAC name is (1S)-2-amino-1-(2,5-difluoro-4-methylphenyl)ethanol.

Molecular Properties

Compound Name(1S)-2-amino-1-(2,5-difluoro-4-methylphenyl)ethanol
PubChem CID83001188
Molecular FormulaC9H11F2NO
Molecular Weight187.19 g/mol
Exact Mass187.08
IUPAC Name(1S)-2-amino-1-(2,5-difluoro-4-methylphenyl)ethanol
SMILESCc1cc(F)c([C@H](O)CN)cc1F
InChIInChI=1S/C9H11F2NO/c1-5-2-8(11)6(3-7(5)10)9(13)4-12/h2-3,9,13H,4,12H2,1H3/t9-/m1/s1
InChIKeyQMOXZEBGEDEZFT-SECBINFHSA-N
XLogP1.27
TPSA46.25 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 ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-1-(5-fluoro-2,4-dimethylphenyl)ethanol
CID 84769063
2-amino-1-(2,5-difluoro-4-methylsulfanylphenyl)ethanol
CID 117312254
4-(2-amino-1-hydroxyethyl)-2-fluoro-5-methylphenol
CID 84769635
(1S)-1-(2,4-difluoro-5-methylphenyl)propan-1-ol
CID 82759417
3-amino-1-(2,5-difluoro-4-methylphenyl)-4-methoxybutan-1-ol
CID 112629952
5-(2-amino-1-hydroxyethyl)-2,4-difluorophenol
CID 117281266
2-amino-1-(2,3,4,5-tetrafluorophenyl)ethanol
CID 18627999
1-(2-fluoro-4,5-dimethylphenyl)butan-1-ol
CID 83988226
1-(2,5-difluoro-4-methylphenyl)-2-(1-methoxycyclobutyl)ethanol
CID 103557600
3-(2-amino-1-hydroxyethyl)-4-fluorobenzenesulfonamide
CID 15383361
1-(2,4-difluoro-5-methylphenyl)-2-(2,4,6-trimethylphenyl)ethanol
CID 115781937
1-(2,4-difluoro-5-methylphenyl)-2-phenylethanol
CID 79731266

Frequently Asked Questions

What is the IUPAC name of (1S)-2-amino-1-(2,5-difluoro-4-methylphenyl)ethanol?
The IUPAC name of (1S)-2-amino-1-(2,5-difluoro-4-methylphenyl)ethanol (CID 83001188) is (1S)-2-amino-1-(2,5-difluoro-4-methylphenyl)ethanol.
What is the SMILES notation for (1S)-2-amino-1-(2,5-difluoro-4-methylphenyl)ethanol?
The canonical SMILES for (1S)-2-amino-1-(2,5-difluoro-4-methylphenyl)ethanol is Cc1cc(F)c([C@H](O)CN)cc1F.
What is the InChIKey of (1S)-2-amino-1-(2,5-difluoro-4-methylphenyl)ethanol?
The InChIKey is QMOXZEBGEDEZFT-SECBINFHSA-N. The full InChI is InChI=1S/C9H11F2NO/c1-5-2-8(11)6(3-7(5)10)9(13)4-12/h2-3,9,13H,4,12H2,1H3/t9-/m1/s1.
What are the key properties of (1S)-2-amino-1-(2,5-difluoro-4-methylphenyl)ethanol?
(1S)-2-amino-1-(2,5-difluoro-4-methylphenyl)ethanol has a molecular weight of 187.19 g/mol, XLogP of 1.27, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-2-amino-1-(2,5-difluoro-4-methylphenyl)ethanol is sourced from PubChem (CID 83001188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).