2-[1-(4-fluorophenyl)ethylamino]-3-phenylpropan-1-ol

C17H20FNO — CID 63260594

IUPAC2-[1-(4-fluorophenyl)ethylamino]-3-phenylpropan-1-ol
SMILESCC(NC(CO)Cc1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C17H20FNO/c1-13(15-7-9-16(18)10-8-15)19-17(12-20)11-14-5-3-2-4-6-14/h2-10,13,17,19-20H,11-12H2,1H3
InChIKeyBGERQRWQTGSAHE-UHFFFAOYSA-N
MW273.35 g/mol
LogP3.08
Rot. Bonds6

About 2-[1-(4-fluorophenyl)ethylamino]-3-phenylpropan-1-ol

2-[1-(4-fluorophenyl)ethylamino]-3-phenylpropan-1-ol (PubChem CID 63260594) has the molecular formula C17H20FNO and a molecular weight of 273.35 g/mol. Its IUPAC name is 2-[1-(4-fluorophenyl)ethylamino]-3-phenylpropan-1-ol.

Molecular Properties

Compound Name2-[1-(4-fluorophenyl)ethylamino]-3-phenylpropan-1-ol
PubChem CID63260594
Molecular FormulaC17H20FNO
Molecular Weight273.35 g/mol
Exact Mass273.15
IUPAC Name2-[1-(4-fluorophenyl)ethylamino]-3-phenylpropan-1-ol
SMILESCC(NC(CO)Cc1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C17H20FNO/c1-13(15-7-9-16(18)10-8-15)19-17(12-20)11-14-5-3-2-4-6-14/h2-10,13,17,19-20H,11-12H2,1H3
InChIKeyBGERQRWQTGSAHE-UHFFFAOYSA-N
XLogP3.08
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
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

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Related Compounds

2-[1-(3,4-difluorophenyl)ethylamino]-3-phenylpropan-1-ol
CID 63260929
(2R)-2-[1-(3-bromo-4-fluorophenyl)ethylamino]-3-phenylpropan-1-ol
CID 104926128
2-[1-(5-fluoro-2-pyridinyl)ethylamino]-3-phenylpropan-1-ol
CID 83119110
3-[1-[[(2R)-1-hydroxy-3-phenylpropan-2-yl]amino]ethyl]phenol
CID 107860727
2-[1-(4-fluorophenyl)ethylamino]-2-phenylethanol
CID 55158651
(2S)-3-phenyl-2-(1-phenylpropan-2-ylamino)propan-1-ol
CID 107862363
(2S)-2-(3-methylbutan-2-ylamino)-3-phenylpropan-1-ol
CID 102613770
(2R)-2-[1-(3-fluorophenyl)propan-2-ylamino]-3-phenylpropan-1-ol
CID 104926148
(1R)-N-[1-(4-fluorophenyl)ethyl]-1-phenylethanamine
CID 78956090
1-(3-fluorophenyl)-N-[(1S)-1-(4-fluorophenyl)ethyl]propan-2-amine
CID 104979722
2-[1-(3-methoxyphenyl)ethylamino]-3-phenylpropan-1-ol
CID 63260760
(2S)-2-[1-(2-chlorophenyl)ethylamino]-3-phenylpropan-1-ol
CID 102613868

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-fluorophenyl)ethylamino]-3-phenylpropan-1-ol?
The IUPAC name of 2-[1-(4-fluorophenyl)ethylamino]-3-phenylpropan-1-ol (CID 63260594) is 2-[1-(4-fluorophenyl)ethylamino]-3-phenylpropan-1-ol.
What is the SMILES notation for 2-[1-(4-fluorophenyl)ethylamino]-3-phenylpropan-1-ol?
The canonical SMILES for 2-[1-(4-fluorophenyl)ethylamino]-3-phenylpropan-1-ol is CC(NC(CO)Cc1ccccc1)c1ccc(F)cc1.
What is the InChIKey of 2-[1-(4-fluorophenyl)ethylamino]-3-phenylpropan-1-ol?
The InChIKey is BGERQRWQTGSAHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FNO/c1-13(15-7-9-16(18)10-8-15)19-17(12-20)11-14-5-3-2-4-6-14/h2-10,13,17,19-20H,11-12H2,1H3.
What are the key properties of 2-[1-(4-fluorophenyl)ethylamino]-3-phenylpropan-1-ol?
2-[1-(4-fluorophenyl)ethylamino]-3-phenylpropan-1-ol has a molecular weight of 273.35 g/mol, XLogP of 3.08, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-fluorophenyl)ethylamino]-3-phenylpropan-1-ol is sourced from PubChem (CID 63260594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).