3-[1-(2-fluorophenyl)propan-2-ylamino]butan-1-ol

C13H20FNO — CID 115976612

IUPAC3-[1-(2-fluorophenyl)propan-2-ylamino]butan-1-ol
SMILESCC(CCO)NC(C)Cc1ccccc1F
InChIInChI=1S/C13H20FNO/c1-10(7-8-16)15-11(2)9-12-5-3-4-6-13(12)14/h3-6,10-11,15-16H,7-9H2,1-2H3
InChIKeyLOWXFXUUFWDNRI-UHFFFAOYSA-N
MW225.31 g/mol
LogP2.12
Rot. Bonds6

About 3-[1-(2-fluorophenyl)propan-2-ylamino]butan-1-ol

3-[1-(2-fluorophenyl)propan-2-ylamino]butan-1-ol (PubChem CID 115976612) has the molecular formula C13H20FNO and a molecular weight of 225.31 g/mol. Its IUPAC name is 3-[1-(2-fluorophenyl)propan-2-ylamino]butan-1-ol.

Molecular Properties

Compound Name3-[1-(2-fluorophenyl)propan-2-ylamino]butan-1-ol
PubChem CID115976612
Molecular FormulaC13H20FNO
Molecular Weight225.31 g/mol
Exact Mass225.15
IUPAC Name3-[1-(2-fluorophenyl)propan-2-ylamino]butan-1-ol
SMILESCC(CCO)NC(C)Cc1ccccc1F
InChIInChI=1S/C13H20FNO/c1-10(7-8-16)15-11(2)9-12-5-3-4-6-13(12)14/h3-6,10-11,15-16H,7-9H2,1-2H3
InChIKeyLOWXFXUUFWDNRI-UHFFFAOYSA-N
XLogP2.12
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 ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-[1-(2-fluorophenyl)propan-2-ylamino]butan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2-fluorophenyl)-N-(1-methylsulfanylpropan-2-yl)propan-2-amine
CID 114830832
1-(2-fluorophenyl)-N-[1-(4-fluorophenyl)ethyl]propan-2-amine
CID 114828278
N-[1-(2-fluorophenyl)propan-2-yl]acetamide
CID 91692173
[4-[1-(2-fluorophenyl)propan-2-ylamino]phenyl]methanol
CID 114830703
N-[1-(2,5-difluorophenyl)ethyl]-1-(2-fluorophenyl)propan-2-amine
CID 114828542
N-[1-(4-ethylphenyl)ethyl]-1-(2-fluorophenyl)propan-2-amine
CID 114828627
N-[(1S)-1-cycloheptylethyl]-1-(2-fluorophenyl)propan-2-amine
CID 104979808
2-[(2-fluorophenyl)methyl]-3-methylbutan-1-ol
CID 66059618
1-(2-fluorophenyl)-N-prop-2-enylpropan-2-amine
CID 114827813
3-[1-(2-fluorophenyl)propan-2-ylamino]pentanenitrile
CID 114829727
(3S)-3-[[5-[(2-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]amino]butan-1-ol
CID 133451818
2-[1-(2-fluorophenyl)propan-2-ylamino]-1-piperidin-1-ylpropan-1-one
CID 114829382

Frequently Asked Questions

What is the IUPAC name of 3-[1-(2-fluorophenyl)propan-2-ylamino]butan-1-ol?
The IUPAC name of 3-[1-(2-fluorophenyl)propan-2-ylamino]butan-1-ol (CID 115976612) is 3-[1-(2-fluorophenyl)propan-2-ylamino]butan-1-ol.
What is the SMILES notation for 3-[1-(2-fluorophenyl)propan-2-ylamino]butan-1-ol?
The canonical SMILES for 3-[1-(2-fluorophenyl)propan-2-ylamino]butan-1-ol is CC(CCO)NC(C)Cc1ccccc1F.
What is the InChIKey of 3-[1-(2-fluorophenyl)propan-2-ylamino]butan-1-ol?
The InChIKey is LOWXFXUUFWDNRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20FNO/c1-10(7-8-16)15-11(2)9-12-5-3-4-6-13(12)14/h3-6,10-11,15-16H,7-9H2,1-2H3.
What are the key properties of 3-[1-(2-fluorophenyl)propan-2-ylamino]butan-1-ol?
3-[1-(2-fluorophenyl)propan-2-ylamino]butan-1-ol has a molecular weight of 225.31 g/mol, XLogP of 2.12, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2-fluorophenyl)propan-2-ylamino]butan-1-ol is sourced from PubChem (CID 115976612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).