(2S)-2-[2-(4-fluorophenyl)propylamino]propan-1-ol

C12H18FNO — CID 103925163

IUPAC(2S)-2-[2-(4-fluorophenyl)propylamino]propan-1-ol
SMILESCC(CN[C@@H](C)CO)c1ccc(F)cc1
InChIInChI=1S/C12H18FNO/c1-9(7-14-10(2)8-15)11-3-5-12(13)6-4-11/h3-6,9-10,14-15H,7-8H2,1-2H3/t9?,10-/m0/s1
InChIKeyHKGDJZSORJNGMS-AXDSSHIGSA-N
MW211.28 g/mol
LogP1.90
Rot. Bonds5

About (2S)-2-[2-(4-fluorophenyl)propylamino]propan-1-ol

(2S)-2-[2-(4-fluorophenyl)propylamino]propan-1-ol (PubChem CID 103925163) has the molecular formula C12H18FNO and a molecular weight of 211.28 g/mol. Its IUPAC name is (2S)-2-[2-(4-fluorophenyl)propylamino]propan-1-ol.

Molecular Properties

Compound Name(2S)-2-[2-(4-fluorophenyl)propylamino]propan-1-ol
PubChem CID103925163
Molecular FormulaC12H18FNO
Molecular Weight211.28 g/mol
Exact Mass211.14
IUPAC Name(2S)-2-[2-(4-fluorophenyl)propylamino]propan-1-ol
SMILESCC(CN[C@@H](C)CO)c1ccc(F)cc1
InChIInChI=1S/C12H18FNO/c1-9(7-14-10(2)8-15)11-3-5-12(13)6-4-11/h3-6,9-10,14-15H,7-8H2,1-2H3/t9?,10-/m0/s1
InChIKeyHKGDJZSORJNGMS-AXDSSHIGSA-N
XLogP1.90
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.28
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-(4-fluorophenyl)propan-1-ol
CID 12969934
(2R)-2-[[(1S)-1-(4-fluorophenyl)propyl]amino]propan-1-ol
CID 93082731
1-(4-fluorophenoxy)-3-(1-hydroxypropan-2-ylamino)propan-2-ol
CID 60909045
2-[[2-hydroxy-2-(4-propan-2-ylphenyl)ethyl]amino]propan-1-ol
CID 60909048
(1R)-1-(4-fluorophenyl)-2-[[(2R)-pentan-2-yl]amino]ethanol
CID 138488448
N-[2-(4-fluorophenyl)propyl]-3-methylbutan-1-amine
CID 115909228
1-butan-2-yl-4-fluorobenzene
CID 11829648
(6S)-6-(4-fluorophenyl)-2-methyl-N-(2-methylpropyl)hept-2-en-4-amine
CID 71277010
1-fluoro-4-[(2S)-1-methoxypropan-2-yl]benzene
CID 118373947
2-[1-(dimethylamino)propan-2-ylamino]-1-(4-fluorophenyl)ethanol
CID 82937633
1-(4-fluorophenyl)-2-(2-phenylpropylamino)ethanol
CID 115577350
(2R)-1-[[(1S)-1-(4-fluorophenyl)ethyl]amino]propan-2-ol
CID 93033609

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[2-(4-fluorophenyl)propylamino]propan-1-ol?
The IUPAC name of (2S)-2-[2-(4-fluorophenyl)propylamino]propan-1-ol (CID 103925163) is (2S)-2-[2-(4-fluorophenyl)propylamino]propan-1-ol.
What is the SMILES notation for (2S)-2-[2-(4-fluorophenyl)propylamino]propan-1-ol?
The canonical SMILES for (2S)-2-[2-(4-fluorophenyl)propylamino]propan-1-ol is CC(CN[C@@H](C)CO)c1ccc(F)cc1.
What is the InChIKey of (2S)-2-[2-(4-fluorophenyl)propylamino]propan-1-ol?
The InChIKey is HKGDJZSORJNGMS-AXDSSHIGSA-N. The full InChI is InChI=1S/C12H18FNO/c1-9(7-14-10(2)8-15)11-3-5-12(13)6-4-11/h3-6,9-10,14-15H,7-8H2,1-2H3/t9?,10-/m0/s1.
What are the key properties of (2S)-2-[2-(4-fluorophenyl)propylamino]propan-1-ol?
(2S)-2-[2-(4-fluorophenyl)propylamino]propan-1-ol has a molecular weight of 211.28 g/mol, XLogP of 1.90, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[2-(4-fluorophenyl)propylamino]propan-1-ol is sourced from PubChem (CID 103925163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).