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

C9H12FNO — CID 64982726

IUPAC1-amino-3-(2-fluorophenyl)propan-2-ol
SMILESNCC(O)Cc1ccccc1F
InChIInChI=1S/C9H12FNO/c10-9-4-2-1-3-7(9)5-8(12)6-11/h1-4,8,12H,5-6,11H2
InChIKeyALSSHGPROUAGSL-UHFFFAOYSA-N
MW169.20 g/mol
LogP0.69
Rot. Bonds3

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

1-amino-3-(2-fluorophenyl)propan-2-ol (PubChem CID 64982726) has the molecular formula C9H12FNO and a molecular weight of 169.20 g/mol. Its IUPAC name is 1-amino-3-(2-fluorophenyl)propan-2-ol.

Molecular Properties

Compound Name1-amino-3-(2-fluorophenyl)propan-2-ol
PubChem CID64982726
Molecular FormulaC9H12FNO
Molecular Weight169.20 g/mol
Exact Mass169.09
IUPAC Name1-amino-3-(2-fluorophenyl)propan-2-ol
SMILESNCC(O)Cc1ccccc1F
InChIInChI=1S/C9H12FNO/c10-9-4-2-1-3-7(9)5-8(12)6-11/h1-4,8,12H,5-6,11H2
InChIKeyALSSHGPROUAGSL-UHFFFAOYSA-N
XLogP0.69
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 ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-amino-3-(2-chloro-3-fluorophenyl)propan-2-ol
CID 112653165
1-(2,3-difluorophenyl)-3-(2-fluorophenyl)propan-2-ol
CID 55095617
1-(2-chlorophenyl)-3-(2-fluorophenyl)propan-2-ol
CID 54978146
1-(2-fluorophenyl)-4,5,5-trimethylhexan-2-ol
CID 63834393
1-(2-fluorophenyl)-3-(methylamino)propan-2-ol
CID 64989565
(2R)-2-(aminomethyl)-3-(2-fluorophenyl)propanoic acid
CID 42329482
1-ethylsulfanyl-3-(2-fluorophenyl)propan-2-ol
CID 65130556
1-(2-fluorophenyl)-3-thiophen-2-ylpropan-2-ol
CID 62500658
1-(2-fluorophenyl)-3-(2-methoxyphenyl)propan-2-ol
CID 61263658
1-(2-fluorophenyl)octan-2-ol
CID 62606363
1-(2,4-dichlorophenyl)-3-(2-fluorophenyl)propan-2-ol
CID 60798841
2-(aminomethyl)-3-(2-fluorophenyl)propanenitrile
CID 82503559

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-(2-fluorophenyl)propan-2-ol?
The IUPAC name of 1-amino-3-(2-fluorophenyl)propan-2-ol (CID 64982726) is 1-amino-3-(2-fluorophenyl)propan-2-ol.
What is the SMILES notation for 1-amino-3-(2-fluorophenyl)propan-2-ol?
The canonical SMILES for 1-amino-3-(2-fluorophenyl)propan-2-ol is NCC(O)Cc1ccccc1F.
What is the InChIKey of 1-amino-3-(2-fluorophenyl)propan-2-ol?
The InChIKey is ALSSHGPROUAGSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12FNO/c10-9-4-2-1-3-7(9)5-8(12)6-11/h1-4,8,12H,5-6,11H2.
What are the key properties of 1-amino-3-(2-fluorophenyl)propan-2-ol?
1-amino-3-(2-fluorophenyl)propan-2-ol has a molecular weight of 169.20 g/mol, XLogP of 0.69, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-(2-fluorophenyl)propan-2-ol is sourced from PubChem (CID 64982726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).