1-(3-fluorophenyl)-2-(3-phenylpropylamino)ethanol

C17H20FNO — CID 60906498

IUPAC1-(3-fluorophenyl)-2-(3-phenylpropylamino)ethanol
SMILESOC(CNCCCc1ccccc1)c1cccc(F)c1
InChIInChI=1S/C17H20FNO/c18-16-10-4-9-15(12-16)17(20)13-19-11-5-8-14-6-2-1-3-7-14/h1-4,6-7,9-10,12,17,19-20H,5,8,11,13H2
InChIKeyXNKFBAXHCSEFRC-UHFFFAOYSA-N
MW273.35 g/mol
LogP3.08
Rot. Bonds7

About 1-(3-fluorophenyl)-2-(3-phenylpropylamino)ethanol

1-(3-fluorophenyl)-2-(3-phenylpropylamino)ethanol (PubChem CID 60906498) has the molecular formula C17H20FNO and a molecular weight of 273.35 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-2-(3-phenylpropylamino)ethanol.

Molecular Properties

Compound Name1-(3-fluorophenyl)-2-(3-phenylpropylamino)ethanol
PubChem CID60906498
Molecular FormulaC17H20FNO
Molecular Weight273.35 g/mol
Exact Mass273.15
IUPAC Name1-(3-fluorophenyl)-2-(3-phenylpropylamino)ethanol
SMILESOC(CNCCCc1ccccc1)c1cccc(F)c1
InChIInChI=1S/C17H20FNO/c18-16-10-4-9-15(12-16)17(20)13-19-11-5-8-14-6-2-1-3-7-14/h1-4,6-7,9-10,12,17,19-20H,5,8,11,13H2
InChIKeyXNKFBAXHCSEFRC-UHFFFAOYSA-N
XLogP3.08
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.35
LogP ≤ 53.08
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

1-(3-fluorophenyl)-2-(octylamino)ethanol
CID 115567782
1-(3-fluorophenyl)-2-(4-phenylbutan-2-ylamino)ethanol
CID 60981253
1-(3-fluorophenyl)-2-(5-methylhexylamino)ethanol
CID 115325304
1-(4-chlorophenyl)-2-(3-phenylpropylamino)ethanol
CID 60724627
2-(hydroxymethyl)-4-[1-hydroxy-2-(3-phenylpropylamino)ethyl]phenol
CID 173131334
1-(3-ethylphenyl)-2-[6-(4-phenylbutoxy)hexylamino]ethanol
CID 144984988
1-(3-fluorophenyl)-2-(2-methylpropylamino)ethanol
CID 60904161
4-[[[2-(3-fluorophenyl)-2-hydroxyethyl]amino]methyl]phenol
CID 114331841
1-(4-nitrosophenyl)-2-(3-phenylpropylamino)ethanol
CID 143133987
2-[2-[di(propan-2-yl)amino]ethylamino]-1-(3-fluorophenyl)ethanol
CID 60898398
1-(3-phenylpropylamino)butan-2-ol
CID 60905255
3-[[[2-(3-fluorophenyl)-2-hydroxyethyl]amino]methyl]benzonitrile
CID 60918684

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-2-(3-phenylpropylamino)ethanol?
The IUPAC name of 1-(3-fluorophenyl)-2-(3-phenylpropylamino)ethanol (CID 60906498) is 1-(3-fluorophenyl)-2-(3-phenylpropylamino)ethanol.
What is the SMILES notation for 1-(3-fluorophenyl)-2-(3-phenylpropylamino)ethanol?
The canonical SMILES for 1-(3-fluorophenyl)-2-(3-phenylpropylamino)ethanol is OC(CNCCCc1ccccc1)c1cccc(F)c1.
What is the InChIKey of 1-(3-fluorophenyl)-2-(3-phenylpropylamino)ethanol?
The InChIKey is XNKFBAXHCSEFRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FNO/c18-16-10-4-9-15(12-16)17(20)13-19-11-5-8-14-6-2-1-3-7-14/h1-4,6-7,9-10,12,17,19-20H,5,8,11,13H2.
What are the key properties of 1-(3-fluorophenyl)-2-(3-phenylpropylamino)ethanol?
1-(3-fluorophenyl)-2-(3-phenylpropylamino)ethanol has a molecular weight of 273.35 g/mol, XLogP of 3.08, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-2-(3-phenylpropylamino)ethanol is sourced from PubChem (CID 60906498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).