(2S)-2-amino-2-(4-fluoro-3-methylphenyl)ethanol

C9H12FNO — CID 55278210

IUPAC(2S)-2-amino-2-(4-fluoro-3-methylphenyl)ethanol
SMILESCc1cc([C@H](N)CO)ccc1F
InChIInChI=1S/C9H12FNO/c1-6-4-7(9(11)5-12)2-3-8(6)10/h2-4,9,12H,5,11H2,1H3/t9-/m1/s1
InChIKeyMASRPZPHVHZWLZ-SECBINFHSA-N
MW169.20 g/mol
LogP1.13
Rot. Bonds2

About (2S)-2-amino-2-(4-fluoro-3-methylphenyl)ethanol

(2S)-2-amino-2-(4-fluoro-3-methylphenyl)ethanol (PubChem CID 55278210) has the molecular formula C9H12FNO and a molecular weight of 169.20 g/mol. Its IUPAC name is (2S)-2-amino-2-(4-fluoro-3-methylphenyl)ethanol.

Molecular Properties

Compound Name(2S)-2-amino-2-(4-fluoro-3-methylphenyl)ethanol
PubChem CID55278210
Molecular FormulaC9H12FNO
Molecular Weight169.20 g/mol
Exact Mass169.09
IUPAC Name(2S)-2-amino-2-(4-fluoro-3-methylphenyl)ethanol
SMILESCc1cc([C@H](N)CO)ccc1F
InChIInChI=1S/C9H12FNO/c1-6-4-7(9(11)5-12)2-3-8(6)10/h2-4,9,12H,5,11H2,1H3/t9-/m1/s1
InChIKeyMASRPZPHVHZWLZ-SECBINFHSA-N
XLogP1.13
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.20
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-2-fluoro-1-(4-fluoro-3-methylphenyl)ethanamine;hydrochloride
CID 171204161
2-amino-2-(3,4-difluorophenyl)ethanol
CID 22048878
(1R)-3,3-difluoro-1-(4-fluoro-3-methylphenyl)propan-1-amine
CID 131295113
(3R)-3-amino-3-(4-fluoro-3-methylphenyl)-2,2-dimethylpropan-1-ol
CID 131494275
(2R)-2-amino-2-(3-amino-4-fluorophenyl)ethanol
CID 66513607
(2S)-2-amino-2-[3-(difluoromethyl)-4-fluorophenyl]ethanol
CID 66514177
2-(4-fluoro-3-methylphenyl)butan-1-ol
CID 82075115
(2R)-2-amino-2-(4-iodo-3-methylphenyl)ethanol
CID 66515891
2-amino-2-(3-chloro-4-fluorophenyl)ethanol
CID 3564183
(3R)-3-amino-3-(4-fluoro-3-methylphenyl)propanenitrile
CID 55277483
1-(4-fluoro-3-methylphenyl)-3-methylbutane-1,3-diamine
CID 116933519
(1S)-1-(4-fluoro-3-methylphenyl)ethanamine
CID 45072346

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-2-(4-fluoro-3-methylphenyl)ethanol?
The IUPAC name of (2S)-2-amino-2-(4-fluoro-3-methylphenyl)ethanol (CID 55278210) is (2S)-2-amino-2-(4-fluoro-3-methylphenyl)ethanol.
What is the SMILES notation for (2S)-2-amino-2-(4-fluoro-3-methylphenyl)ethanol?
The canonical SMILES for (2S)-2-amino-2-(4-fluoro-3-methylphenyl)ethanol is Cc1cc([C@H](N)CO)ccc1F.
What is the InChIKey of (2S)-2-amino-2-(4-fluoro-3-methylphenyl)ethanol?
The InChIKey is MASRPZPHVHZWLZ-SECBINFHSA-N. The full InChI is InChI=1S/C9H12FNO/c1-6-4-7(9(11)5-12)2-3-8(6)10/h2-4,9,12H,5,11H2,1H3/t9-/m1/s1.
What are the key properties of (2S)-2-amino-2-(4-fluoro-3-methylphenyl)ethanol?
(2S)-2-amino-2-(4-fluoro-3-methylphenyl)ethanol has a molecular weight of 169.20 g/mol, XLogP of 1.13, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-2-(4-fluoro-3-methylphenyl)ethanol is sourced from PubChem (CID 55278210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).