1-[2-(3,5-difluorophenyl)ethylamino]-2-phenylpropan-2-ol

C17H19F2NO — CID 62603873

IUPAC1-[2-(3,5-difluorophenyl)ethylamino]-2-phenylpropan-2-ol
SMILESCC(O)(CNCCc1cc(F)cc(F)c1)c1ccccc1
InChIInChI=1S/C17H19F2NO/c1-17(21,14-5-3-2-4-6-14)12-20-8-7-13-9-15(18)11-16(19)10-13/h2-6,9-11,20-21H,7-8,12H2,1H3
InChIKeyPTMPVLBGYHYONI-UHFFFAOYSA-N
MW291.34 g/mol
LogP3.00
Rot. Bonds6

About 1-[2-(3,5-difluorophenyl)ethylamino]-2-phenylpropan-2-ol

1-[2-(3,5-difluorophenyl)ethylamino]-2-phenylpropan-2-ol (PubChem CID 62603873) has the molecular formula C17H19F2NO and a molecular weight of 291.34 g/mol. Its IUPAC name is 1-[2-(3,5-difluorophenyl)ethylamino]-2-phenylpropan-2-ol.

Molecular Properties

Compound Name1-[2-(3,5-difluorophenyl)ethylamino]-2-phenylpropan-2-ol
PubChem CID62603873
Molecular FormulaC17H19F2NO
Molecular Weight291.34 g/mol
Exact Mass291.14
IUPAC Name1-[2-(3,5-difluorophenyl)ethylamino]-2-phenylpropan-2-ol
SMILESCC(O)(CNCCc1cc(F)cc(F)c1)c1ccccc1
InChIInChI=1S/C17H19F2NO/c1-17(21,14-5-3-2-4-6-14)12-20-8-7-13-9-15(18)11-16(19)10-13/h2-6,9-11,20-21H,7-8,12H2,1H3
InChIKeyPTMPVLBGYHYONI-UHFFFAOYSA-N
XLogP3.00
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 ≤ 53.00
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

N-[2-(3,5-difluorophenyl)ethyl]-2,2-difluoro-2-phenylethanamine
CID 116789040
1-[2-(3-fluorophenyl)ethylamino]-2-methylpropan-2-ol
CID 60885285
1-(2-aminoethylamino)-2-phenylpropan-2-ol
CID 62374351
1-[2-(3-fluorophenyl)ethyl]-3-(2-hydroxy-2-phenylpropyl)urea
CID 111334518
N-[2-(3,5-difluorophenyl)ethyl]-2-phenylprop-2-en-1-amine
CID 115328275
1-[(2,4-difluorophenyl)methylamino]-2-phenylpropan-2-ol
CID 62374509
1-(ethylamino)-2-(3-fluorophenyl)propan-2-ol
CID 62775143
2-(3,5-difluorophenyl)-N-[(2-methylphenyl)methyl]ethanamine
CID 62316053
2-[2-(3,5-difluorophenyl)ethylamino]ethanol
CID 62603879
1-(3,5-difluorophenyl)-2-(3-fluorophenyl)propan-2-ol
CID 105402440
2-(3,5-difluorophenyl)-N-(pyridin-2-ylmethyl)ethanamine
CID 62317287
3-[(2-hydroxy-2-phenylpropyl)amino]-N,N-dimethylpropanamide
CID 62375011

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3,5-difluorophenyl)ethylamino]-2-phenylpropan-2-ol?
The IUPAC name of 1-[2-(3,5-difluorophenyl)ethylamino]-2-phenylpropan-2-ol (CID 62603873) is 1-[2-(3,5-difluorophenyl)ethylamino]-2-phenylpropan-2-ol.
What is the SMILES notation for 1-[2-(3,5-difluorophenyl)ethylamino]-2-phenylpropan-2-ol?
The canonical SMILES for 1-[2-(3,5-difluorophenyl)ethylamino]-2-phenylpropan-2-ol is CC(O)(CNCCc1cc(F)cc(F)c1)c1ccccc1.
What is the InChIKey of 1-[2-(3,5-difluorophenyl)ethylamino]-2-phenylpropan-2-ol?
The InChIKey is PTMPVLBGYHYONI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F2NO/c1-17(21,14-5-3-2-4-6-14)12-20-8-7-13-9-15(18)11-16(19)10-13/h2-6,9-11,20-21H,7-8,12H2,1H3.
What are the key properties of 1-[2-(3,5-difluorophenyl)ethylamino]-2-phenylpropan-2-ol?
1-[2-(3,5-difluorophenyl)ethylamino]-2-phenylpropan-2-ol has a molecular weight of 291.34 g/mol, XLogP of 3.00, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3,5-difluorophenyl)ethylamino]-2-phenylpropan-2-ol is sourced from PubChem (CID 62603873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).