3-[1-(3-fluorophenyl)propylamino]-2-methylpropan-1-ol

C13H20FNO — CID 114871634

IUPAC3-[1-(3-fluorophenyl)propylamino]-2-methylpropan-1-ol
SMILESCCC(NCC(C)CO)c1cccc(F)c1
InChIInChI=1S/C13H20FNO/c1-3-13(15-8-10(2)9-16)11-5-4-6-12(14)7-11/h4-7,10,13,15-16H,3,8-9H2,1-2H3
InChIKeyYTKPXMVZWFOKMC-UHFFFAOYSA-N
MW225.31 g/mol
LogP2.49
Rot. Bonds6

About 3-[1-(3-fluorophenyl)propylamino]-2-methylpropan-1-ol

3-[1-(3-fluorophenyl)propylamino]-2-methylpropan-1-ol (PubChem CID 114871634) has the molecular formula C13H20FNO and a molecular weight of 225.31 g/mol. Its IUPAC name is 3-[1-(3-fluorophenyl)propylamino]-2-methylpropan-1-ol.

Molecular Properties

Compound Name3-[1-(3-fluorophenyl)propylamino]-2-methylpropan-1-ol
PubChem CID114871634
Molecular FormulaC13H20FNO
Molecular Weight225.31 g/mol
Exact Mass225.15
IUPAC Name3-[1-(3-fluorophenyl)propylamino]-2-methylpropan-1-ol
SMILESCCC(NCC(C)CO)c1cccc(F)c1
InChIInChI=1S/C13H20FNO/c1-3-13(15-8-10(2)9-16)11-5-4-6-12(14)7-11/h4-7,10,13,15-16H,3,8-9H2,1-2H3
InChIKeyYTKPXMVZWFOKMC-UHFFFAOYSA-N
XLogP2.49
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.31
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[1-(3-chlorophenyl)propylamino]-2-methylpropan-1-ol
CID 65031717
3-[1-(3-fluorophenyl)propylamino]-2-hydroxypropanamide
CID 106170791
2-[1-(3-fluorophenyl)propylamino]-4-methylpentan-1-ol
CID 114871461
2-ethyl-N-[1-(3-fluorophenyl)propyl]hexan-1-amine
CID 114871074
(1R)-1-(3-fluorophenyl)-N-methylpropan-1-amine
CID 93312415
N-[1-(3-fluorophenyl)propyl]but-2-yn-1-amine
CID 114871834
N-[1-(3-fluorophenyl)propyl]-3-methylbut-2-en-1-amine
CID 103522681
3-[1-(3-fluorophenyl)propylamino]pentan-1-ol
CID 114871859
1-(3-fluorophenyl)-N,3-dimethylpentan-1-amine
CID 62607548
N-[(2-ethylphenyl)methyl]-1-(3-fluorophenyl)propan-1-amine
CID 114871625
N-[1-(2,4-difluorophenyl)ethyl]-1-(3-fluorophenyl)propan-1-amine
CID 114871218
3-[1-(3-fluorophenyl)propylamino]propanenitrile
CID 114871129

Frequently Asked Questions

What is the IUPAC name of 3-[1-(3-fluorophenyl)propylamino]-2-methylpropan-1-ol?
The IUPAC name of 3-[1-(3-fluorophenyl)propylamino]-2-methylpropan-1-ol (CID 114871634) is 3-[1-(3-fluorophenyl)propylamino]-2-methylpropan-1-ol.
What is the SMILES notation for 3-[1-(3-fluorophenyl)propylamino]-2-methylpropan-1-ol?
The canonical SMILES for 3-[1-(3-fluorophenyl)propylamino]-2-methylpropan-1-ol is CCC(NCC(C)CO)c1cccc(F)c1.
What is the InChIKey of 3-[1-(3-fluorophenyl)propylamino]-2-methylpropan-1-ol?
The InChIKey is YTKPXMVZWFOKMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20FNO/c1-3-13(15-8-10(2)9-16)11-5-4-6-12(14)7-11/h4-7,10,13,15-16H,3,8-9H2,1-2H3.
What are the key properties of 3-[1-(3-fluorophenyl)propylamino]-2-methylpropan-1-ol?
3-[1-(3-fluorophenyl)propylamino]-2-methylpropan-1-ol has a molecular weight of 225.31 g/mol, XLogP of 2.49, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(3-fluorophenyl)propylamino]-2-methylpropan-1-ol is sourced from PubChem (CID 114871634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).