3-[(2,2-difluoro-2-phenylethyl)-ethylamino]propan-1-ol

C13H19F2NO — CID 116790403

IUPAC3-[(2,2-difluoro-2-phenylethyl)-ethylamino]propan-1-ol
SMILESCCN(CCCO)CC(F)(F)c1ccccc1
InChIInChI=1S/C13H19F2NO/c1-2-16(9-6-10-17)11-13(14,15)12-7-4-3-5-8-12/h3-5,7-8,17H,2,6,9-11H2,1H3
InChIKeyHTELNKIRIAXYJG-UHFFFAOYSA-N
MW243.30 g/mol
LogP2.48
Rot. Bonds7

About 3-[(2,2-difluoro-2-phenylethyl)-ethylamino]propan-1-ol

3-[(2,2-difluoro-2-phenylethyl)-ethylamino]propan-1-ol (PubChem CID 116790403) has the molecular formula C13H19F2NO and a molecular weight of 243.30 g/mol. Its IUPAC name is 3-[(2,2-difluoro-2-phenylethyl)-ethylamino]propan-1-ol.

Molecular Properties

Compound Name3-[(2,2-difluoro-2-phenylethyl)-ethylamino]propan-1-ol
PubChem CID116790403
Molecular FormulaC13H19F2NO
Molecular Weight243.30 g/mol
Exact Mass243.14
IUPAC Name3-[(2,2-difluoro-2-phenylethyl)-ethylamino]propan-1-ol
SMILESCCN(CCCO)CC(F)(F)c1ccccc1
InChIInChI=1S/C13H19F2NO/c1-2-16(9-6-10-17)11-13(14,15)12-7-4-3-5-8-12/h3-5,7-8,17H,2,6,9-11H2,1H3
InChIKeyHTELNKIRIAXYJG-UHFFFAOYSA-N
XLogP2.48
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.30
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(2,2-difluoro-2-phenylethyl)-ethylamino]ethanethioamide
CID 116789419
2-amino-4-[ethyl(2,2,2-trifluoroethyl)amino]-2-phenylbutan-1-ol
CID 116695191
3-[ethyl-[2-[3-(trifluoromethyl)phenyl]sulfanylethyl]amino]propan-1-ol
CID 115674934
3-[ethyl-[(4-phenylphenyl)methyl]amino]propan-1-ol
CID 115666478
N'-(2,2-difluoro-2-phenylethyl)-N'-(2-methylpropyl)ethane-1,2-diamine
CID 116789654
1-N-[3-(dimethylamino)propyl]-1-N-ethyl-2-phenylpropane-1,2-diamine
CID 102994341
3-[benzyl(ethyl)amino]-2,2-difluoropropan-1-ol
CID 143474045
1-bromo-N-(2,2-difluoro-2-phenylethyl)-N-methylpropan-2-amine
CID 116790603
bis(3-(diethylamino)propan-1-ol);zirconium
CID 158788459
1-[ethyl(3-phenylpropyl)amino]-2-methylpropan-2-ol
CID 78962338
2-[ethyl-[2-methyl-2-phenyl-3-(propan-2-ylamino)propyl]amino]ethanol
CID 62258100
N-[3-(diethylamino)propyl]-2,2-diphenylpropanamide
CID 57179015

Frequently Asked Questions

What is the IUPAC name of 3-[(2,2-difluoro-2-phenylethyl)-ethylamino]propan-1-ol?
The IUPAC name of 3-[(2,2-difluoro-2-phenylethyl)-ethylamino]propan-1-ol (CID 116790403) is 3-[(2,2-difluoro-2-phenylethyl)-ethylamino]propan-1-ol.
What is the SMILES notation for 3-[(2,2-difluoro-2-phenylethyl)-ethylamino]propan-1-ol?
The canonical SMILES for 3-[(2,2-difluoro-2-phenylethyl)-ethylamino]propan-1-ol is CCN(CCCO)CC(F)(F)c1ccccc1.
What is the InChIKey of 3-[(2,2-difluoro-2-phenylethyl)-ethylamino]propan-1-ol?
The InChIKey is HTELNKIRIAXYJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F2NO/c1-2-16(9-6-10-17)11-13(14,15)12-7-4-3-5-8-12/h3-5,7-8,17H,2,6,9-11H2,1H3.
What are the key properties of 3-[(2,2-difluoro-2-phenylethyl)-ethylamino]propan-1-ol?
3-[(2,2-difluoro-2-phenylethyl)-ethylamino]propan-1-ol has a molecular weight of 243.30 g/mol, XLogP of 2.48, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,2-difluoro-2-phenylethyl)-ethylamino]propan-1-ol is sourced from PubChem (CID 116790403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).