3-[(2-ethylphenyl)methylamino]-2,2-difluoropropan-1-ol

C12H17F2NO — CID 106173018

IUPAC3-[(2-ethylphenyl)methylamino]-2,2-difluoropropan-1-ol
SMILESCCc1ccccc1CNCC(F)(F)CO
InChIInChI=1S/C12H17F2NO/c1-2-10-5-3-4-6-11(10)7-15-8-12(13,14)9-16/h3-6,15-16H,2,7-9H2,1H3
InChIKeyHXWASIRDMBHIAU-UHFFFAOYSA-N
MW229.27 g/mol
LogP1.97
Rot. Bonds6

About 3-[(2-ethylphenyl)methylamino]-2,2-difluoropropan-1-ol

3-[(2-ethylphenyl)methylamino]-2,2-difluoropropan-1-ol (PubChem CID 106173018) has the molecular formula C12H17F2NO and a molecular weight of 229.27 g/mol. Its IUPAC name is 3-[(2-ethylphenyl)methylamino]-2,2-difluoropropan-1-ol.

Molecular Properties

Compound Name3-[(2-ethylphenyl)methylamino]-2,2-difluoropropan-1-ol
PubChem CID106173018
Molecular FormulaC12H17F2NO
Molecular Weight229.27 g/mol
Exact Mass229.13
IUPAC Name3-[(2-ethylphenyl)methylamino]-2,2-difluoropropan-1-ol
SMILESCCc1ccccc1CNCC(F)(F)CO
InChIInChI=1S/C12H17F2NO/c1-2-10-5-3-4-6-11(10)7-15-8-12(13,14)9-16/h3-6,15-16H,2,7-9H2,1H3
InChIKeyHXWASIRDMBHIAU-UHFFFAOYSA-N
XLogP1.97
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.27
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2,2-difluoro-3-[[2-(trifluoromethyl)phenyl]methylamino]propan-1-ol
CID 104857703
2-[(2-ethylphenyl)methylamino]-2-methylpropan-1-ol
CID 62391565
3-[[(2,2-difluoro-3-hydroxypropyl)amino]methyl]benzene-1,2-diol
CID 106173037
N-(2,2-difluoro-3-hydroxypropyl)-2-(2-methylphenyl)acetamide
CID 104858311
3-[(5-ethylfuran-2-yl)methylamino]-2,2-difluoropropan-1-ol
CID 104857374
2,2-difluoro-3-[(2-prop-2-enoxyphenyl)methylamino]propan-1-ol
CID 104857715
N-[(2-ethylphenyl)methyl]-4,4,4-trifluorobutan-1-amine
CID 113326356
3-(1,3-benzodioxol-4-ylmethylamino)-2,2-difluoropropan-1-ol
CID 113462710
3-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]-2,2-difluoropropan-1-ol
CID 104857471
2,2-difluoro-3-[(5-fluoro-2-methylphenyl)methylamino]propan-1-ol
CID 104857334
methyl 2-[(2-ethylphenyl)methylamino]acetate
CID 62390681
4-[(2-ethylphenyl)methylamino]butan-1-ol
CID 64680949

Frequently Asked Questions

What is the IUPAC name of 3-[(2-ethylphenyl)methylamino]-2,2-difluoropropan-1-ol?
The IUPAC name of 3-[(2-ethylphenyl)methylamino]-2,2-difluoropropan-1-ol (CID 106173018) is 3-[(2-ethylphenyl)methylamino]-2,2-difluoropropan-1-ol.
What is the SMILES notation for 3-[(2-ethylphenyl)methylamino]-2,2-difluoropropan-1-ol?
The canonical SMILES for 3-[(2-ethylphenyl)methylamino]-2,2-difluoropropan-1-ol is CCc1ccccc1CNCC(F)(F)CO.
What is the InChIKey of 3-[(2-ethylphenyl)methylamino]-2,2-difluoropropan-1-ol?
The InChIKey is HXWASIRDMBHIAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F2NO/c1-2-10-5-3-4-6-11(10)7-15-8-12(13,14)9-16/h3-6,15-16H,2,7-9H2,1H3.
What are the key properties of 3-[(2-ethylphenyl)methylamino]-2,2-difluoropropan-1-ol?
3-[(2-ethylphenyl)methylamino]-2,2-difluoropropan-1-ol has a molecular weight of 229.27 g/mol, XLogP of 1.97, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-ethylphenyl)methylamino]-2,2-difluoropropan-1-ol is sourced from PubChem (CID 106173018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).