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

C17H19F2NO — CID 63260929

IUPAC2-[1-(3,4-difluorophenyl)ethylamino]-3-phenylpropan-1-ol
SMILESCC(NC(CO)Cc1ccccc1)c1ccc(F)c(F)c1
InChIInChI=1S/C17H19F2NO/c1-12(14-7-8-16(18)17(19)10-14)20-15(11-21)9-13-5-3-2-4-6-13/h2-8,10,12,15,20-21H,9,11H2,1H3
InChIKeyCAEJVZPLFPQODB-UHFFFAOYSA-N
MW291.34 g/mol
LogP3.22
Rot. Bonds6

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

2-[1-(3,4-difluorophenyl)ethylamino]-3-phenylpropan-1-ol (PubChem CID 63260929) has the molecular formula C17H19F2NO and a molecular weight of 291.34 g/mol. Its IUPAC name is 2-[1-(3,4-difluorophenyl)ethylamino]-3-phenylpropan-1-ol.

Molecular Properties

Compound Name2-[1-(3,4-difluorophenyl)ethylamino]-3-phenylpropan-1-ol
PubChem CID63260929
Molecular FormulaC17H19F2NO
Molecular Weight291.34 g/mol
Exact Mass291.14
IUPAC Name2-[1-(3,4-difluorophenyl)ethylamino]-3-phenylpropan-1-ol
SMILESCC(NC(CO)Cc1ccccc1)c1ccc(F)c(F)c1
InChIInChI=1S/C17H19F2NO/c1-12(14-7-8-16(18)17(19)10-14)20-15(11-21)9-13-5-3-2-4-6-13/h2-8,10,12,15,20-21H,9,11H2,1H3
InChIKeyCAEJVZPLFPQODB-UHFFFAOYSA-N
XLogP3.22
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.34
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-[1-(3-bromo-4-fluorophenyl)ethylamino]-3-phenylpropan-1-ol
CID 104926128
2-[1-(4-fluorophenyl)ethylamino]-3-phenylpropan-1-ol
CID 63260594
3-[1-[[(2R)-1-hydroxy-3-phenylpropan-2-yl]amino]ethyl]phenol
CID 107860727
2-[1-(3-methoxyphenyl)ethylamino]-3-phenylpropan-1-ol
CID 63260760
N-[1-(3,4-difluorophenyl)ethyl]-1-(4-fluorophenyl)propan-2-amine
CID 63008182
N-[1-(3-bromo-4-fluorophenyl)ethyl]-1-phenylpropan-2-amine
CID 63462421
3-[1-(3,4-difluorophenyl)ethylamino]butan-1-ol
CID 79145040
4-[1-[(1-hydroxy-3-phenylpropan-2-yl)amino]ethyl]benzene-1,3-diol
CID 63260759
(2S)-2-(3-methylbutan-2-ylamino)-3-phenylpropan-1-ol
CID 102613770
(2S)-3-phenyl-2-(1-phenylpropan-2-ylamino)propan-1-ol
CID 107862363
2-[1-(4-bromo-3-fluorophenyl)ethylamino]propane-1,3-diol
CID 115733556
2-[1-(3-bromo-4-fluorophenyl)ethylamino]propane-1,3-diol
CID 65315700

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3,4-difluorophenyl)ethylamino]-3-phenylpropan-1-ol?
The IUPAC name of 2-[1-(3,4-difluorophenyl)ethylamino]-3-phenylpropan-1-ol (CID 63260929) is 2-[1-(3,4-difluorophenyl)ethylamino]-3-phenylpropan-1-ol.
What is the SMILES notation for 2-[1-(3,4-difluorophenyl)ethylamino]-3-phenylpropan-1-ol?
The canonical SMILES for 2-[1-(3,4-difluorophenyl)ethylamino]-3-phenylpropan-1-ol is CC(NC(CO)Cc1ccccc1)c1ccc(F)c(F)c1.
What is the InChIKey of 2-[1-(3,4-difluorophenyl)ethylamino]-3-phenylpropan-1-ol?
The InChIKey is CAEJVZPLFPQODB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F2NO/c1-12(14-7-8-16(18)17(19)10-14)20-15(11-21)9-13-5-3-2-4-6-13/h2-8,10,12,15,20-21H,9,11H2,1H3.
What are the key properties of 2-[1-(3,4-difluorophenyl)ethylamino]-3-phenylpropan-1-ol?
2-[1-(3,4-difluorophenyl)ethylamino]-3-phenylpropan-1-ol has a molecular weight of 291.34 g/mol, XLogP of 3.22, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3,4-difluorophenyl)ethylamino]-3-phenylpropan-1-ol is sourced from PubChem (CID 63260929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).