4-[1-[1-(4-fluorophenyl)propan-2-ylamino]propyl]phenol

C18H22FNO — CID 63008181

IUPAC4-[1-[1-(4-fluorophenyl)propan-2-ylamino]propyl]phenol
SMILESCCC(NC(C)Cc1ccc(F)cc1)c1ccc(O)cc1
InChIInChI=1S/C18H22FNO/c1-3-18(15-6-10-17(21)11-7-15)20-13(2)12-14-4-8-16(19)9-5-14/h4-11,13,18,20-21H,3,12H2,1-2H3
InChIKeyUHFOXLGDLWATOX-UHFFFAOYSA-N
MW287.38 g/mol
LogP4.20
Rot. Bonds6

About 4-[1-[1-(4-fluorophenyl)propan-2-ylamino]propyl]phenol

4-[1-[1-(4-fluorophenyl)propan-2-ylamino]propyl]phenol (PubChem CID 63008181) has the molecular formula C18H22FNO and a molecular weight of 287.38 g/mol. Its IUPAC name is 4-[1-[1-(4-fluorophenyl)propan-2-ylamino]propyl]phenol.

Molecular Properties

Compound Name4-[1-[1-(4-fluorophenyl)propan-2-ylamino]propyl]phenol
PubChem CID63008181
Molecular FormulaC18H22FNO
Molecular Weight287.38 g/mol
Exact Mass287.17
IUPAC Name4-[1-[1-(4-fluorophenyl)propan-2-ylamino]propyl]phenol
SMILESCCC(NC(C)Cc1ccc(F)cc1)c1ccc(O)cc1
InChIInChI=1S/C18H22FNO/c1-3-18(15-6-10-17(21)11-7-15)20-13(2)12-14-4-8-16(19)9-5-14/h4-11,13,18,20-21H,3,12H2,1-2H3
InChIKeyUHFOXLGDLWATOX-UHFFFAOYSA-N
XLogP4.20
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.38
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-fluorophenyl)-N-(1-thiophen-3-ylpropan-2-yl)propan-1-amine
CID 61473211
(2R)-2-[[(1S)-1-(4-fluorophenyl)propyl]amino]propan-1-ol
CID 93082731
2-[1-(4-fluorophenyl)propan-2-ylamino]-2-phenylethanol
CID 115720367
4-[2-(4-fluorophenyl)propyl]phenol
CID 70071344
N-[1-(4-fluorophenyl)propan-2-yl]-1-phenylbutan-1-amine
CID 63462583
1-(4-fluorophenyl)-N-[1-(4-fluorophenyl)ethyl]propan-1-amine
CID 43096584
N-[1-(4-bromophenyl)propan-2-yl]-1-(4-methylphenyl)propan-1-amine
CID 43695964
2-[1-[1-(4-fluorophenyl)propan-2-ylamino]ethyl]benzene-1,4-diol
CID 63010168
N-[1-(4-fluorophenyl)propyl]-3,3-dimethylbutan-2-amine
CID 104827878
4-[2-[[(1S)-1-(4-methylphenyl)ethyl]amino]propyl]phenol
CID 115494469
1-(4-fluorophenyl)-N-[1-(4-methylphenyl)ethyl]propan-2-amine
CID 63008352
1-(4-bromophenyl)-N-[1-(4-fluorophenyl)ethyl]propan-2-amine
CID 43695926

Frequently Asked Questions

What is the IUPAC name of 4-[1-[1-(4-fluorophenyl)propan-2-ylamino]propyl]phenol?
The IUPAC name of 4-[1-[1-(4-fluorophenyl)propan-2-ylamino]propyl]phenol (CID 63008181) is 4-[1-[1-(4-fluorophenyl)propan-2-ylamino]propyl]phenol.
What is the SMILES notation for 4-[1-[1-(4-fluorophenyl)propan-2-ylamino]propyl]phenol?
The canonical SMILES for 4-[1-[1-(4-fluorophenyl)propan-2-ylamino]propyl]phenol is CCC(NC(C)Cc1ccc(F)cc1)c1ccc(O)cc1.
What is the InChIKey of 4-[1-[1-(4-fluorophenyl)propan-2-ylamino]propyl]phenol?
The InChIKey is UHFOXLGDLWATOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FNO/c1-3-18(15-6-10-17(21)11-7-15)20-13(2)12-14-4-8-16(19)9-5-14/h4-11,13,18,20-21H,3,12H2,1-2H3.
What are the key properties of 4-[1-[1-(4-fluorophenyl)propan-2-ylamino]propyl]phenol?
4-[1-[1-(4-fluorophenyl)propan-2-ylamino]propyl]phenol has a molecular weight of 287.38 g/mol, XLogP of 4.20, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[1-(4-fluorophenyl)propan-2-ylamino]propyl]phenol is sourced from PubChem (CID 63008181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).