(2S)-3-amino-2-(3-fluorophenyl)propan-1-ol

C9H12FNO — CID 124510156

IUPAC(2S)-3-amino-2-(3-fluorophenyl)propan-1-ol
SMILESNC[C@@H](CO)c1cccc(F)c1
InChIInChI=1S/C9H12FNO/c10-9-3-1-2-7(4-9)8(5-11)6-12/h1-4,8,12H,5-6,11H2/t8-/m0/s1
InChIKeyMATHYTBQRCEHIS-QMMMGPOBSA-N
MW169.20 g/mol
LogP0.86
Rot. Bonds3

About (2S)-3-amino-2-(3-fluorophenyl)propan-1-ol

(2S)-3-amino-2-(3-fluorophenyl)propan-1-ol (PubChem CID 124510156) has the molecular formula C9H12FNO and a molecular weight of 169.20 g/mol. Its IUPAC name is (2S)-3-amino-2-(3-fluorophenyl)propan-1-ol.

Molecular Properties

Compound Name(2S)-3-amino-2-(3-fluorophenyl)propan-1-ol
PubChem CID124510156
Molecular FormulaC9H12FNO
Molecular Weight169.20 g/mol
Exact Mass169.09
IUPAC Name(2S)-3-amino-2-(3-fluorophenyl)propan-1-ol
SMILESNC[C@@H](CO)c1cccc(F)c1
InChIInChI=1S/C9H12FNO/c10-9-3-1-2-7(4-9)8(5-11)6-12/h1-4,8,12H,5-6,11H2/t8-/m0/s1
InChIKeyMATHYTBQRCEHIS-QMMMGPOBSA-N
XLogP0.86
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.20
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-3-amino-2-(3-methylphenyl)propan-1-ol
CID 86327369
3-amino-2-(3-chlorophenyl)propan-1-ol;hydrochloride
CID 119031530
3-amino-2-(3-methylphenyl)propan-1-ol
CID 46911824
3-amino-2-[3-(hydroxymethyl)phenyl]propan-1-ol
CID 90041405
3-(2,4-difluorophenyl)-2-(3-fluorophenyl)propan-1-ol
CID 79430276
(2S)-3-amino-2-(4-fluorophenyl)propan-1-ol;hydrochloride
CID 91810279
2-(3-fluorophenyl)-3-(4-iodophenyl)propan-1-amine
CID 79440307
3-(5-fluoro-2-methylphenyl)-2-(3-fluorophenyl)propan-1-ol
CID 105375972
2-(3-fluorophenyl)-4-methylsulfonylbutan-1-amine
CID 79440305
4-ethylsulfonyl-2-(3-fluorophenyl)butan-1-ol
CID 79431449
2-(3-fluorophenyl)-5-phenylpentan-1-amine
CID 79015149
3-(4-chloro-2-fluorophenyl)-2-(3-fluorophenyl)propan-1-amine
CID 114858839

Frequently Asked Questions

What is the IUPAC name of (2S)-3-amino-2-(3-fluorophenyl)propan-1-ol?
The IUPAC name of (2S)-3-amino-2-(3-fluorophenyl)propan-1-ol (CID 124510156) is (2S)-3-amino-2-(3-fluorophenyl)propan-1-ol.
What is the SMILES notation for (2S)-3-amino-2-(3-fluorophenyl)propan-1-ol?
The canonical SMILES for (2S)-3-amino-2-(3-fluorophenyl)propan-1-ol is NC[C@@H](CO)c1cccc(F)c1.
What is the InChIKey of (2S)-3-amino-2-(3-fluorophenyl)propan-1-ol?
The InChIKey is MATHYTBQRCEHIS-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H12FNO/c10-9-3-1-2-7(4-9)8(5-11)6-12/h1-4,8,12H,5-6,11H2/t8-/m0/s1.
What are the key properties of (2S)-3-amino-2-(3-fluorophenyl)propan-1-ol?
(2S)-3-amino-2-(3-fluorophenyl)propan-1-ol has a molecular weight of 169.20 g/mol, XLogP of 0.86, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-amino-2-(3-fluorophenyl)propan-1-ol is sourced from PubChem (CID 124510156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).