(3R)-3-amino-2,2-difluoro-3-(4-phenylmethoxyphenyl)propan-1-ol

C16H17F2NO2 — CID 171243439

IUPAC(3R)-3-amino-2,2-difluoro-3-(4-phenylmethoxyphenyl)propan-1-ol
SMILESN[C@H](c1ccc(OCc2ccccc2)cc1)C(F)(F)CO
InChIInChI=1S/C16H17F2NO2/c17-16(18,11-20)15(19)13-6-8-14(9-7-13)21-10-12-4-2-1-3-5-12/h1-9,15,20H,10-11,19H2/t15-/m1/s1
InChIKeyIZKKTHDHFXRVBZ-OAHLLOKOSA-N
MW293.31 g/mol
LogP2.89
Rot. Bonds6

About (3R)-3-amino-2,2-difluoro-3-(4-phenylmethoxyphenyl)propan-1-ol

(3R)-3-amino-2,2-difluoro-3-(4-phenylmethoxyphenyl)propan-1-ol (PubChem CID 171243439) has the molecular formula C16H17F2NO2 and a molecular weight of 293.31 g/mol. Its IUPAC name is (3R)-3-amino-2,2-difluoro-3-(4-phenylmethoxyphenyl)propan-1-ol.

Molecular Properties

Compound Name(3R)-3-amino-2,2-difluoro-3-(4-phenylmethoxyphenyl)propan-1-ol
PubChem CID171243439
Molecular FormulaC16H17F2NO2
Molecular Weight293.31 g/mol
Exact Mass293.12
IUPAC Name(3R)-3-amino-2,2-difluoro-3-(4-phenylmethoxyphenyl)propan-1-ol
SMILESN[C@H](c1ccc(OCc2ccccc2)cc1)C(F)(F)CO
InChIInChI=1S/C16H17F2NO2/c17-16(18,11-20)15(19)13-6-8-14(9-7-13)21-10-12-4-2-1-3-5-12/h1-9,15,20H,10-11,19H2/t15-/m1/s1
InChIKeyIZKKTHDHFXRVBZ-OAHLLOKOSA-N
XLogP2.89
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.31
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (3R)-3-amino-2,2-difluoro-3-(4-phenylmethoxyphenyl)propan-1-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

2,2,2-trichloro-1-(4-phenylmethoxyphenyl)ethanamine
CID 56614966
2-[(1R)-1-amino-2,2-difluoro-3-hydroxypropyl]-5-phenylmethoxyphenol;hydrochloride
CID 171244462
(1S)-2,2-dimethyl-1-(4-phenylmethoxyphenyl)propan-1-amine;hydrochloride
CID 171243441
(1R)-3,3,3-trifluoro-1-(4-phenylmethoxyphenyl)propan-1-amine;hydrochloride
CID 171211177
(1S)-4,4,4-trifluoro-1-(4-phenylmethoxyphenyl)butan-1-amine
CID 171230780
(3R)-3-amino-3-[4-(benzylamino)phenyl]-2,2-difluoropropan-1-ol
CID 171240157
4-[(1R)-1-amino-2,2-difluoro-3-hydroxypropyl]phenol
CID 131102833
(1S)-4,4,4-trifluoro-1-(4-phenylmethoxyphenyl)butan-1-amine;hydrochloride
CID 171230781
1-amino-2-(4-phenylmethoxyphenyl)ethane-1,2-diol
CID 70474392
(3S)-3-amino-3-[4-(difluoromethoxy)phenyl]-2,2-difluoropropan-1-ol
CID 171248414
(3S)-2,2-difluoro-3-(4-phenylmethoxyphenyl)-3-piperazin-1-ylpropan-1-ol
CID 171177481
(1R)-1-(4-phenylmethoxyphenyl)ethane-1,2-diol
CID 71416199

Frequently Asked Questions

What is the IUPAC name of (3R)-3-amino-2,2-difluoro-3-(4-phenylmethoxyphenyl)propan-1-ol?
The IUPAC name of (3R)-3-amino-2,2-difluoro-3-(4-phenylmethoxyphenyl)propan-1-ol (CID 171243439) is (3R)-3-amino-2,2-difluoro-3-(4-phenylmethoxyphenyl)propan-1-ol.
What is the SMILES notation for (3R)-3-amino-2,2-difluoro-3-(4-phenylmethoxyphenyl)propan-1-ol?
The canonical SMILES for (3R)-3-amino-2,2-difluoro-3-(4-phenylmethoxyphenyl)propan-1-ol is N[C@H](c1ccc(OCc2ccccc2)cc1)C(F)(F)CO.
What is the InChIKey of (3R)-3-amino-2,2-difluoro-3-(4-phenylmethoxyphenyl)propan-1-ol?
The InChIKey is IZKKTHDHFXRVBZ-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H17F2NO2/c17-16(18,11-20)15(19)13-6-8-14(9-7-13)21-10-12-4-2-1-3-5-12/h1-9,15,20H,10-11,19H2/t15-/m1/s1.
What are the key properties of (3R)-3-amino-2,2-difluoro-3-(4-phenylmethoxyphenyl)propan-1-ol?
(3R)-3-amino-2,2-difluoro-3-(4-phenylmethoxyphenyl)propan-1-ol has a molecular weight of 293.31 g/mol, XLogP of 2.89, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-amino-2,2-difluoro-3-(4-phenylmethoxyphenyl)propan-1-ol is sourced from PubChem (CID 171243439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).