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

C12H18FNO — CID 164740523

IUPAC1-(2-fluorophenyl)-3-(propan-2-ylamino)propan-1-ol
SMILESCC(C)NCCC(O)c1ccccc1F
InChIInChI=1S/C12H18FNO/c1-9(2)14-8-7-12(15)10-5-3-4-6-11(10)13/h3-6,9,12,14-15H,7-8H2,1-2H3
InChIKeyAPTOCPZIFJDSJL-UHFFFAOYSA-N
MW211.28 g/mol
LogP2.25
Rot. Bonds5

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

1-(2-fluorophenyl)-3-(propan-2-ylamino)propan-1-ol (PubChem CID 164740523) has the molecular formula C12H18FNO and a molecular weight of 211.28 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-3-(propan-2-ylamino)propan-1-ol.

Molecular Properties

Compound Name1-(2-fluorophenyl)-3-(propan-2-ylamino)propan-1-ol
PubChem CID164740523
Molecular FormulaC12H18FNO
Molecular Weight211.28 g/mol
Exact Mass211.14
IUPAC Name1-(2-fluorophenyl)-3-(propan-2-ylamino)propan-1-ol
SMILESCC(C)NCCC(O)c1ccccc1F
InChIInChI=1S/C12H18FNO/c1-9(2)14-8-7-12(15)10-5-3-4-6-11(10)13/h3-6,9,12,14-15H,7-8H2,1-2H3
InChIKeyAPTOCPZIFJDSJL-UHFFFAOYSA-N
XLogP2.25
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 ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(dimethylamino)-1-(2-fluorophenyl)propan-1-ol
CID 62645456
5-[[2-(2-fluorophenyl)-2-hydroxyethyl]amino]pentan-2-ol
CID 106131230
1-(2-fluorophenyl)-3-[2-hydroxypropyl(methyl)amino]propan-1-ol
CID 62630697
5,5,5-trifluoro-1-(2-fluorophenyl)pentan-1-ol
CID 115515409
1-(2-fluorophenyl)-3-phenylpropan-1-ol
CID 62502803
(1S)-2-chloro-1-(2-fluorophenyl)ethanol
CID 83001661
3-(diethylamino)-1-(2-fluorophenyl)propan-1-ol
CID 62643876
3-[ethyl(propan-2-yl)amino]-1-(2-fluorophenyl)propan-1-ol
CID 62629969
N-[(1R)-1-(2-fluorophenyl)ethyl]-4-(propan-2-ylamino)butanamide
CID 81380845
1-(2-fluorophenyl)-2-[1-(4-fluorophenyl)ethylamino]ethanol
CID 60744888
N-[2-(2-fluorophenyl)-2-hydroxyethyl]-3-methylbutanamide
CID 71982886
1-(2-fluorophenyl)-2-[(3-methyl-2-propan-2-ylbutyl)amino]ethanol
CID 102905547

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-3-(propan-2-ylamino)propan-1-ol?
The IUPAC name of 1-(2-fluorophenyl)-3-(propan-2-ylamino)propan-1-ol (CID 164740523) is 1-(2-fluorophenyl)-3-(propan-2-ylamino)propan-1-ol.
What is the SMILES notation for 1-(2-fluorophenyl)-3-(propan-2-ylamino)propan-1-ol?
The canonical SMILES for 1-(2-fluorophenyl)-3-(propan-2-ylamino)propan-1-ol is CC(C)NCCC(O)c1ccccc1F.
What is the InChIKey of 1-(2-fluorophenyl)-3-(propan-2-ylamino)propan-1-ol?
The InChIKey is APTOCPZIFJDSJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FNO/c1-9(2)14-8-7-12(15)10-5-3-4-6-11(10)13/h3-6,9,12,14-15H,7-8H2,1-2H3.
What are the key properties of 1-(2-fluorophenyl)-3-(propan-2-ylamino)propan-1-ol?
1-(2-fluorophenyl)-3-(propan-2-ylamino)propan-1-ol has a molecular weight of 211.28 g/mol, XLogP of 2.25, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-3-(propan-2-ylamino)propan-1-ol is sourced from PubChem (CID 164740523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).