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

C9H12FNO — CID 90016000

IUPAC(2S)-2-amino-2-(2-fluorophenyl)propan-1-ol
SMILESC[C@@](N)(CO)c1ccccc1F
InChIInChI=1S/C9H12FNO/c1-9(11,6-12)7-4-2-3-5-8(7)10/h2-5,12H,6,11H2,1H3/t9-/m1/s1
InChIKeyNFTKEZKFDCYCJG-SECBINFHSA-N
MW169.20 g/mol
LogP0.99
Rot. Bonds2

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

(2S)-2-amino-2-(2-fluorophenyl)propan-1-ol (PubChem CID 90016000) has the molecular formula C9H12FNO and a molecular weight of 169.20 g/mol. Its IUPAC name is (2S)-2-amino-2-(2-fluorophenyl)propan-1-ol.

Molecular Properties

Compound Name(2S)-2-amino-2-(2-fluorophenyl)propan-1-ol
PubChem CID90016000
Molecular FormulaC9H12FNO
Molecular Weight169.20 g/mol
Exact Mass169.09
IUPAC Name(2S)-2-amino-2-(2-fluorophenyl)propan-1-ol
SMILESC[C@@](N)(CO)c1ccccc1F
InChIInChI=1S/C9H12FNO/c1-9(11,6-12)7-4-2-3-5-8(7)10/h2-5,12H,6,11H2,1H3/t9-/m1/s1
InChIKeyNFTKEZKFDCYCJG-SECBINFHSA-N
XLogP0.99
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 ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-amino-2-(2-amino-3-fluorophenyl)propan-1-ol
CID 130702904
(2S)-2-amino-2-(2-methylsulfanylphenyl)propan-1-ol
CID 55276084
2-[(2S)-2-amino-1-hydroxypropan-2-yl]-6-fluorobenzonitrile
CID 55274776
2-amino-2-[2-(hydroxymethyl)phenyl]propan-1-ol
CID 55293123
2-amino-2-(2-chlorophenyl)propan-1-ol
CID 54776181
(2S)-2-amino-2-(2-fluoro-4-methylphenyl)propan-1-ol
CID 55262273
(2S)-2-amino-2-[2-(2-aminoethyl)phenyl]propan-1-ol
CID 55295656
1-(3,5-difluorophenyl)-2-(2-fluorophenyl)propan-2-amine
CID 105402991
2-(2-fluorophenyl)-1-(4-methylphenyl)propan-2-amine
CID 54919515
2-(2-fluorophenyl)-1-thiophen-2-ylpropan-2-amine
CID 62621819
1-(2-chlorophenyl)-2-(2-fluorophenyl)propan-2-amine
CID 60797963
4-amino-3-(2-fluorophenyl)-3-methylbutan-1-ol
CID 66089558

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-2-(2-fluorophenyl)propan-1-ol?
The IUPAC name of (2S)-2-amino-2-(2-fluorophenyl)propan-1-ol (CID 90016000) is (2S)-2-amino-2-(2-fluorophenyl)propan-1-ol.
What is the SMILES notation for (2S)-2-amino-2-(2-fluorophenyl)propan-1-ol?
The canonical SMILES for (2S)-2-amino-2-(2-fluorophenyl)propan-1-ol is C[C@@](N)(CO)c1ccccc1F.
What is the InChIKey of (2S)-2-amino-2-(2-fluorophenyl)propan-1-ol?
The InChIKey is NFTKEZKFDCYCJG-SECBINFHSA-N. The full InChI is InChI=1S/C9H12FNO/c1-9(11,6-12)7-4-2-3-5-8(7)10/h2-5,12H,6,11H2,1H3/t9-/m1/s1.
What are the key properties of (2S)-2-amino-2-(2-fluorophenyl)propan-1-ol?
(2S)-2-amino-2-(2-fluorophenyl)propan-1-ol has a molecular weight of 169.20 g/mol, XLogP of 0.99, 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-(2-fluorophenyl)propan-1-ol is sourced from PubChem (CID 90016000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).