1-(2,2-difluoroethylamino)-3-phenylmethoxypropan-2-ol

C12H17F2NO2 — CID 115406795

IUPAC1-(2,2-difluoroethylamino)-3-phenylmethoxypropan-2-ol
SMILESOC(CNCC(F)F)COCc1ccccc1
InChIInChI=1S/C12H17F2NO2/c13-12(14)7-15-6-11(16)9-17-8-10-4-2-1-3-5-10/h1-5,11-12,15-16H,6-9H2
InChIKeyTYZQZELGXAWDIF-UHFFFAOYSA-N
MW245.27 g/mol
LogP1.42
Rot. Bonds8

About 1-(2,2-difluoroethylamino)-3-phenylmethoxypropan-2-ol

1-(2,2-difluoroethylamino)-3-phenylmethoxypropan-2-ol (PubChem CID 115406795) has the molecular formula C12H17F2NO2 and a molecular weight of 245.27 g/mol. Its IUPAC name is 1-(2,2-difluoroethylamino)-3-phenylmethoxypropan-2-ol.

Molecular Properties

Compound Name1-(2,2-difluoroethylamino)-3-phenylmethoxypropan-2-ol
PubChem CID115406795
Molecular FormulaC12H17F2NO2
Molecular Weight245.27 g/mol
Exact Mass245.12
IUPAC Name1-(2,2-difluoroethylamino)-3-phenylmethoxypropan-2-ol
SMILESOC(CNCC(F)F)COCc1ccccc1
InChIInChI=1S/C12H17F2NO2/c13-12(14)7-15-6-11(16)9-17-8-10-4-2-1-3-5-10/h1-5,11-12,15-16H,6-9H2
InChIKeyTYZQZELGXAWDIF-UHFFFAOYSA-N
XLogP1.42
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.27
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-(2,2-difluoroethylamino)-3-phenylmethoxypropan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-1-(benzylamino)-3-phenylmethoxypropan-2-ol
CID 10707267
(2S)-1-(2-phenylethylamino)-3-phenylmethoxypropan-2-ol
CID 93381144
(2R)-1-(2-chloroethylamino)-3-phenylmethoxypropan-2-ol
CID 171477760
(2R)-1-phenylmethoxy-3-(prop-2-enylamino)propan-2-ol
CID 118006903
1-(2-cyclopropylpropylamino)-3-phenylmethoxypropan-2-ol
CID 115591857
1-[(4-methylphenyl)methylamino]-3-phenylmethoxypropan-2-ol
CID 60632327
3-[(2-hydroxy-3-phenylmethoxypropyl)amino]-2,2-dimethylpropanamide
CID 106276229
3-[(2-hydroxy-3-phenylmethoxypropyl)amino]propanamide
CID 54938672
1-[(3-bromophenyl)methylamino]-3-phenylmethoxypropan-2-ol
CID 61401206
1-[(4-methoxyphenyl)methylamino]-3-phenylmethoxypropan-2-ol
CID 170992001
1-phenylmethoxy-3-(2-thiophen-3-ylethylamino)propan-2-ol
CID 61473661
1-[(2-methylpropan-2-yl)oxyamino]-3-phenylmethoxypropan-2-ol
CID 82723320

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-difluoroethylamino)-3-phenylmethoxypropan-2-ol?
The IUPAC name of 1-(2,2-difluoroethylamino)-3-phenylmethoxypropan-2-ol (CID 115406795) is 1-(2,2-difluoroethylamino)-3-phenylmethoxypropan-2-ol.
What is the SMILES notation for 1-(2,2-difluoroethylamino)-3-phenylmethoxypropan-2-ol?
The canonical SMILES for 1-(2,2-difluoroethylamino)-3-phenylmethoxypropan-2-ol is OC(CNCC(F)F)COCc1ccccc1.
What is the InChIKey of 1-(2,2-difluoroethylamino)-3-phenylmethoxypropan-2-ol?
The InChIKey is TYZQZELGXAWDIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F2NO2/c13-12(14)7-15-6-11(16)9-17-8-10-4-2-1-3-5-10/h1-5,11-12,15-16H,6-9H2.
What are the key properties of 1-(2,2-difluoroethylamino)-3-phenylmethoxypropan-2-ol?
1-(2,2-difluoroethylamino)-3-phenylmethoxypropan-2-ol has a molecular weight of 245.27 g/mol, XLogP of 1.42, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-difluoroethylamino)-3-phenylmethoxypropan-2-ol is sourced from PubChem (CID 115406795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).