2,2-difluoro-3-[(2-methyl-1-phenylpropyl)amino]propan-1-ol

C13H19F2NO — CID 104860585

IUPAC2,2-difluoro-3-[(2-methyl-1-phenylpropyl)amino]propan-1-ol
SMILESCC(C)C(NCC(F)(F)CO)c1ccccc1
InChIInChI=1S/C13H19F2NO/c1-10(2)12(11-6-4-3-5-7-11)16-8-13(14,15)9-17/h3-7,10,12,16-17H,8-9H2,1-2H3
InChIKeyWBEKKZOQOORHQP-UHFFFAOYSA-N
MW243.30 g/mol
LogP2.60
Rot. Bonds6

About 2,2-difluoro-3-[(2-methyl-1-phenylpropyl)amino]propan-1-ol

2,2-difluoro-3-[(2-methyl-1-phenylpropyl)amino]propan-1-ol (PubChem CID 104860585) has the molecular formula C13H19F2NO and a molecular weight of 243.30 g/mol. Its IUPAC name is 2,2-difluoro-3-[(2-methyl-1-phenylpropyl)amino]propan-1-ol.

Molecular Properties

Compound Name2,2-difluoro-3-[(2-methyl-1-phenylpropyl)amino]propan-1-ol
PubChem CID104860585
Molecular FormulaC13H19F2NO
Molecular Weight243.30 g/mol
Exact Mass243.14
IUPAC Name2,2-difluoro-3-[(2-methyl-1-phenylpropyl)amino]propan-1-ol
SMILESCC(C)C(NCC(F)(F)CO)c1ccccc1
InChIInChI=1S/C13H19F2NO/c1-10(2)12(11-6-4-3-5-7-11)16-8-13(14,15)9-17/h3-7,10,12,16-17H,8-9H2,1-2H3
InChIKeyWBEKKZOQOORHQP-UHFFFAOYSA-N
XLogP2.60
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.30
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-1-phenyl-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 43426280
2,2-difluoro-3-[(3,3,3-trifluoro-1-phenylpropyl)amino]propan-1-ol
CID 106172903
2-methyl-1-[(2-methyl-1-phenylpropyl)amino]butan-2-ol
CID 65108431
4,4-dimethyl-5-[(2-methyl-1-phenylpropyl)amino]pentan-1-ol
CID 103911194
2,2-dimethyl-N-(2-methyl-1-phenylpropyl)butan-1-amine
CID 103460399
(1R)-2-methyl-N-(2-methylpropyl)-1-phenylpropan-1-amine
CID 93027510
(2S)-1-[[(1S)-2-methyl-1-phenylpropyl]amino]propan-2-ol
CID 93288190
1-[(2-methyl-1-phenylpropyl)amino]propan-2-ol
CID 43776294
2,2-difluoro-3-[1-[3-(trifluoromethyl)phenyl]ethylamino]propan-1-ol
CID 104860556
2,2-difluoro-3-(1-pyridin-2-ylethylamino)propan-1-ol
CID 104860444
2,2-difluoro-3-[1-(1-phenylpyrazol-4-yl)ethylamino]propan-1-ol
CID 104860544
2-methyl-2-(1-phenylethylamino)propan-1-ol
CID 60720568

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-3-[(2-methyl-1-phenylpropyl)amino]propan-1-ol?
The IUPAC name of 2,2-difluoro-3-[(2-methyl-1-phenylpropyl)amino]propan-1-ol (CID 104860585) is 2,2-difluoro-3-[(2-methyl-1-phenylpropyl)amino]propan-1-ol.
What is the SMILES notation for 2,2-difluoro-3-[(2-methyl-1-phenylpropyl)amino]propan-1-ol?
The canonical SMILES for 2,2-difluoro-3-[(2-methyl-1-phenylpropyl)amino]propan-1-ol is CC(C)C(NCC(F)(F)CO)c1ccccc1.
What is the InChIKey of 2,2-difluoro-3-[(2-methyl-1-phenylpropyl)amino]propan-1-ol?
The InChIKey is WBEKKZOQOORHQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F2NO/c1-10(2)12(11-6-4-3-5-7-11)16-8-13(14,15)9-17/h3-7,10,12,16-17H,8-9H2,1-2H3.
What are the key properties of 2,2-difluoro-3-[(2-methyl-1-phenylpropyl)amino]propan-1-ol?
2,2-difluoro-3-[(2-methyl-1-phenylpropyl)amino]propan-1-ol has a molecular weight of 243.30 g/mol, XLogP of 2.60, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-3-[(2-methyl-1-phenylpropyl)amino]propan-1-ol is sourced from PubChem (CID 104860585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).