(2S,3R)-3-methoxy-2-(methylamino)-1,3-diphenylpropan-1-one

C17H19NO2 — CID 910794

IUPAC(2S,3R)-3-methoxy-2-(methylamino)-1,3-diphenylpropan-1-one
SMILESCN[C@H](C(=O)c1ccccc1)[C@H](OC)c1ccccc1
InChIInChI=1S/C17H19NO2/c1-18-15(16(19)13-9-5-3-6-10-13)17(20-2)14-11-7-4-8-12-14/h3-12,15,17-18H,1-2H3/t15-,17-/m1/s1
InChIKeyUZMATHAVBHQGGQ-NVXWUHKLSA-N
MW269.34 g/mol
LogP2.85
Rot. Bonds6

About (2S,3R)-3-methoxy-2-(methylamino)-1,3-diphenylpropan-1-one

(2S,3R)-3-methoxy-2-(methylamino)-1,3-diphenylpropan-1-one (PubChem CID 910794) has the molecular formula C17H19NO2 and a molecular weight of 269.34 g/mol. Its IUPAC name is (2S,3R)-3-methoxy-2-(methylamino)-1,3-diphenylpropan-1-one.

Molecular Properties

Compound Name(2S,3R)-3-methoxy-2-(methylamino)-1,3-diphenylpropan-1-one
PubChem CID910794
Molecular FormulaC17H19NO2
Molecular Weight269.34 g/mol
Exact Mass269.14
IUPAC Name(2S,3R)-3-methoxy-2-(methylamino)-1,3-diphenylpropan-1-one
SMILESCN[C@H](C(=O)c1ccccc1)[C@H](OC)c1ccccc1
InChIInChI=1S/C17H19NO2/c1-18-15(16(19)13-9-5-3-6-10-13)17(20-2)14-11-7-4-8-12-14/h3-12,15,17-18H,1-2H3/t15-,17-/m1/s1
InChIKeyUZMATHAVBHQGGQ-NVXWUHKLSA-N
XLogP2.85
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S,3R)-3-methoxy-2-(methylamino)-3-(3-nitrophenyl)-1-phenylpropan-1-one
CID 914355
3-methoxy-2-(methylamino)-3-(3-nitrophenyl)-1-phenylpropan-1-one;perchloric acid
CID 16682564
[(1R,2S)-1-(4-fluorophenyl)-2-(methylamino)-3-oxo-3-phenylpropyl] acetate
CID 914632
[3-(4-bromophenyl)-2-(methylamino)-3-oxo-1-phenylpropyl] acetate
CID 3359877
[1-(4-fluorophenyl)-2-(methylamino)-3-oxo-3-phenylpropyl] acetate;perchloric acid
CID 52997470
methyl 3-amino-4-(methylamino)-5-oxo-5-phenylpentanoate
CID 57140075
[(1R,2S)-2-(methylamino)-1-phenylpropyl] benzoate
CID 162818343
(2R,3R)-2-bromo-3-methoxy-3-(4-methylphenyl)-1-phenylpropan-1-one
CID 164684967
methyl (2S)-2-[(R)-methoxy(phenyl)methyl]-3-methylbutanoate
CID 10752293
3-methoxy-2,2-dimethyl-1,3-diphenylpropan-1-one
CID 100923277
methyl N-(3-methyl-1-oxo-1-phenylbutan-2-yl)carbamate
CID 164938680
methyl (2S)-2-[(R)-methoxy(phenyl)methyl]-3,3-dimethylbutanoate
CID 10538647

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-3-methoxy-2-(methylamino)-1,3-diphenylpropan-1-one?
The IUPAC name of (2S,3R)-3-methoxy-2-(methylamino)-1,3-diphenylpropan-1-one (CID 910794) is (2S,3R)-3-methoxy-2-(methylamino)-1,3-diphenylpropan-1-one.
What is the SMILES notation for (2S,3R)-3-methoxy-2-(methylamino)-1,3-diphenylpropan-1-one?
The canonical SMILES for (2S,3R)-3-methoxy-2-(methylamino)-1,3-diphenylpropan-1-one is CN[C@H](C(=O)c1ccccc1)[C@H](OC)c1ccccc1.
What is the InChIKey of (2S,3R)-3-methoxy-2-(methylamino)-1,3-diphenylpropan-1-one?
The InChIKey is UZMATHAVBHQGGQ-NVXWUHKLSA-N. The full InChI is InChI=1S/C17H19NO2/c1-18-15(16(19)13-9-5-3-6-10-13)17(20-2)14-11-7-4-8-12-14/h3-12,15,17-18H,1-2H3/t15-,17-/m1/s1.
What are the key properties of (2S,3R)-3-methoxy-2-(methylamino)-1,3-diphenylpropan-1-one?
(2S,3R)-3-methoxy-2-(methylamino)-1,3-diphenylpropan-1-one has a molecular weight of 269.34 g/mol, XLogP of 2.85, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-3-methoxy-2-(methylamino)-1,3-diphenylpropan-1-one is sourced from PubChem (CID 910794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).