(2R,3S)-3-amino-1-(4-methoxyphenyl)-2-methyl-3-phenylpropan-1-one

C17H19NO2 — CID 10635675

IUPAC(2R,3S)-3-amino-1-(4-methoxyphenyl)-2-methyl-3-phenylpropan-1-one
SMILESCOc1ccc(C(=O)[C@H](C)[C@H](N)c2ccccc2)cc1
InChIInChI=1S/C17H19NO2/c1-12(16(18)13-6-4-3-5-7-13)17(19)14-8-10-15(20-2)11-9-14/h3-12,16H,18H2,1-2H3/t12-,16+/m1/s1
InChIKeyYRBBGJRZEJCLMN-WBMJQRKESA-N
MW269.34 g/mol
LogP3.21
Rot. Bonds5

About (2R,3S)-3-amino-1-(4-methoxyphenyl)-2-methyl-3-phenylpropan-1-one

(2R,3S)-3-amino-1-(4-methoxyphenyl)-2-methyl-3-phenylpropan-1-one (PubChem CID 10635675) has the molecular formula C17H19NO2 and a molecular weight of 269.34 g/mol. Its IUPAC name is (2R,3S)-3-amino-1-(4-methoxyphenyl)-2-methyl-3-phenylpropan-1-one.

Molecular Properties

Compound Name(2R,3S)-3-amino-1-(4-methoxyphenyl)-2-methyl-3-phenylpropan-1-one
PubChem CID10635675
Molecular FormulaC17H19NO2
Molecular Weight269.34 g/mol
Exact Mass269.14
IUPAC Name(2R,3S)-3-amino-1-(4-methoxyphenyl)-2-methyl-3-phenylpropan-1-one
SMILESCOc1ccc(C(=O)[C@H](C)[C@H](N)c2ccccc2)cc1
InChIInChI=1S/C17H19NO2/c1-12(16(18)13-6-4-3-5-7-13)17(19)14-8-10-15(20-2)11-9-14/h3-12,16H,18H2,1-2H3/t12-,16+/m1/s1
InChIKeyYRBBGJRZEJCLMN-WBMJQRKESA-N
XLogP3.21
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-[1-(4-methoxyphenyl)ethyl]-2-methyl-3-phenylpropanamide;hydrochloride
CID 119706532
(2R,3S)-2-bromo-3-hydroxy-1-(4-methoxyphenyl)-3-phenylpropan-1-one
CID 102368188
3-amino-3-(4-methoxyphenyl)-2-methylpropanamide
CID 67167673
3-amino-N-(3,5-dimethoxyphenyl)-2-methyl-3-phenylpropanamide
CID 119673892
3-amino-N-[2-(4-methoxyphenyl)ethyl]-2-methyl-3-phenylpropanamide
CID 119673161
3-amino-1-(3,4-difluorophenyl)-2-methyl-3-phenylpropan-1-one
CID 116598880
2-benzoyl-1-(4-methoxyphenyl)-3,4-diphenylbutane-1,4-dione
CID 122221336
2-isocyano-1-(4-methoxyphenyl)-2-phenylethanone
CID 140853508
3-amino-N-[1-(4-methoxyphenyl)propyl]-2-methyl-3-phenylpropanamide
CID 119689348
(2S,3R)-1-(4-methoxyphenyl)-2,3-dimethylpent-4-en-1-one
CID 132529754
2-(4-methoxyphenoxy)-1,2-diphenylethanone
CID 20722156
(2S)-3-(4-methoxyphenyl)-3-oxo-2-phenylpropanenitrile
CID 682096

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-3-amino-1-(4-methoxyphenyl)-2-methyl-3-phenylpropan-1-one?
The IUPAC name of (2R,3S)-3-amino-1-(4-methoxyphenyl)-2-methyl-3-phenylpropan-1-one (CID 10635675) is (2R,3S)-3-amino-1-(4-methoxyphenyl)-2-methyl-3-phenylpropan-1-one.
What is the SMILES notation for (2R,3S)-3-amino-1-(4-methoxyphenyl)-2-methyl-3-phenylpropan-1-one?
The canonical SMILES for (2R,3S)-3-amino-1-(4-methoxyphenyl)-2-methyl-3-phenylpropan-1-one is COc1ccc(C(=O)[C@H](C)[C@H](N)c2ccccc2)cc1.
What is the InChIKey of (2R,3S)-3-amino-1-(4-methoxyphenyl)-2-methyl-3-phenylpropan-1-one?
The InChIKey is YRBBGJRZEJCLMN-WBMJQRKESA-N. The full InChI is InChI=1S/C17H19NO2/c1-12(16(18)13-6-4-3-5-7-13)17(19)14-8-10-15(20-2)11-9-14/h3-12,16H,18H2,1-2H3/t12-,16+/m1/s1.
What are the key properties of (2R,3S)-3-amino-1-(4-methoxyphenyl)-2-methyl-3-phenylpropan-1-one?
(2R,3S)-3-amino-1-(4-methoxyphenyl)-2-methyl-3-phenylpropan-1-one has a molecular weight of 269.34 g/mol, XLogP of 3.21, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-3-amino-1-(4-methoxyphenyl)-2-methyl-3-phenylpropan-1-one is sourced from PubChem (CID 10635675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).