4-[1-(3-fluorophenyl)propan-2-ylamino]butan-1-ol

C13H20FNO — CID 106840986

IUPAC4-[1-(3-fluorophenyl)propan-2-ylamino]butan-1-ol
SMILESCC(Cc1cccc(F)c1)NCCCCO
InChIInChI=1S/C13H20FNO/c1-11(15-7-2-3-8-16)9-12-5-4-6-13(14)10-12/h4-6,10-11,15-16H,2-3,7-9H2,1H3
InChIKeyQGLKTWRJISEEIC-UHFFFAOYSA-N
MW225.31 g/mol
LogP2.12
Rot. Bonds7

About 4-[1-(3-fluorophenyl)propan-2-ylamino]butan-1-ol

4-[1-(3-fluorophenyl)propan-2-ylamino]butan-1-ol (PubChem CID 106840986) has the molecular formula C13H20FNO and a molecular weight of 225.31 g/mol. Its IUPAC name is 4-[1-(3-fluorophenyl)propan-2-ylamino]butan-1-ol.

Molecular Properties

Compound Name4-[1-(3-fluorophenyl)propan-2-ylamino]butan-1-ol
PubChem CID106840986
Molecular FormulaC13H20FNO
Molecular Weight225.31 g/mol
Exact Mass225.15
IUPAC Name4-[1-(3-fluorophenyl)propan-2-ylamino]butan-1-ol
SMILESCC(Cc1cccc(F)c1)NCCCCO
InChIInChI=1S/C13H20FNO/c1-11(15-7-2-3-8-16)9-12-5-4-6-13(14)10-12/h4-6,10-11,15-16H,2-3,7-9H2,1H3
InChIKeyQGLKTWRJISEEIC-UHFFFAOYSA-N
XLogP2.12
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[1-(4-fluorophenyl)propan-2-ylamino]butan-1-ol
CID 62996197
N-(3-cyclopropylpropyl)-1-(3-fluorophenyl)propan-2-amine
CID 115890781
3-[1-(3-fluorophenyl)propan-2-ylamino]-2,2-dimethylpropan-1-ol
CID 115894977
2-[1-(3-fluorophenyl)propan-2-ylamino]-4-methylpentan-1-ol
CID 115712077
N-(2-ethylsulfinylethyl)-1-(3-fluorophenyl)propan-2-amine
CID 113261405
2-[1-(3-fluorophenyl)propan-2-ylamino]-N-methylacetamide
CID 115706785
1-(3-fluorophenyl)-N-[2-(4-methylpiperazin-1-yl)ethyl]propan-2-amine
CID 114829218
1-(3-fluorophenyl)-N-(2-prop-2-enylsulfanylethyl)propan-2-amine
CID 103901403
1-(3-fluorophenyl)-N-(2-pyridin-3-ylethyl)propan-2-amine
CID 115709037
3-[(3-fluorophenyl)methylamino]propan-1-ol
CID 28714303
3-[(3-fluorophenyl)methylamino]butan-1-ol
CID 78997881
1-(4-fluorophenyl)-N-[(3-fluorophenyl)methyl]propan-2-amine
CID 55026029

Frequently Asked Questions

What is the IUPAC name of 4-[1-(3-fluorophenyl)propan-2-ylamino]butan-1-ol?
The IUPAC name of 4-[1-(3-fluorophenyl)propan-2-ylamino]butan-1-ol (CID 106840986) is 4-[1-(3-fluorophenyl)propan-2-ylamino]butan-1-ol.
What is the SMILES notation for 4-[1-(3-fluorophenyl)propan-2-ylamino]butan-1-ol?
The canonical SMILES for 4-[1-(3-fluorophenyl)propan-2-ylamino]butan-1-ol is CC(Cc1cccc(F)c1)NCCCCO.
What is the InChIKey of 4-[1-(3-fluorophenyl)propan-2-ylamino]butan-1-ol?
The InChIKey is QGLKTWRJISEEIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20FNO/c1-11(15-7-2-3-8-16)9-12-5-4-6-13(14)10-12/h4-6,10-11,15-16H,2-3,7-9H2,1H3.
What are the key properties of 4-[1-(3-fluorophenyl)propan-2-ylamino]butan-1-ol?
4-[1-(3-fluorophenyl)propan-2-ylamino]butan-1-ol has a molecular weight of 225.31 g/mol, XLogP of 2.12, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(3-fluorophenyl)propan-2-ylamino]butan-1-ol is sourced from PubChem (CID 106840986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).