(2R)-2-amino-1-(2,4-dimethoxyphenyl)-2-phenylethanone

C16H17NO3 — CID 104890975

IUPAC(2R)-2-amino-1-(2,4-dimethoxyphenyl)-2-phenylethanone
SMILESCOc1ccc(C(=O)[C@H](N)c2ccccc2)c(OC)c1
InChIInChI=1S/C16H17NO3/c1-19-12-8-9-13(14(10-12)20-2)16(18)15(17)11-6-4-3-5-7-11/h3-10,15H,17H2,1-2H3/t15-/m1/s1
InChIKeyIAVIYLDTHHFRFE-OAHLLOKOSA-N
MW271.32 g/mol
LogP2.59
Rot. Bonds5

About (2R)-2-amino-1-(2,4-dimethoxyphenyl)-2-phenylethanone

(2R)-2-amino-1-(2,4-dimethoxyphenyl)-2-phenylethanone (PubChem CID 104890975) has the molecular formula C16H17NO3 and a molecular weight of 271.32 g/mol. Its IUPAC name is (2R)-2-amino-1-(2,4-dimethoxyphenyl)-2-phenylethanone.

Molecular Properties

Compound Name(2R)-2-amino-1-(2,4-dimethoxyphenyl)-2-phenylethanone
PubChem CID104890975
Molecular FormulaC16H17NO3
Molecular Weight271.32 g/mol
Exact Mass271.12
IUPAC Name(2R)-2-amino-1-(2,4-dimethoxyphenyl)-2-phenylethanone
SMILESCOc1ccc(C(=O)[C@H](N)c2ccccc2)c(OC)c1
InChIInChI=1S/C16H17NO3/c1-19-12-8-9-13(14(10-12)20-2)16(18)15(17)11-6-4-3-5-7-11/h3-10,15H,17H2,1-2H3/t15-/m1/s1
InChIKeyIAVIYLDTHHFRFE-OAHLLOKOSA-N
XLogP2.59
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-amino-1-(4-methoxy-2-methylphenyl)-2-phenylethanone
CID 104891125
2,4-dimethoxy-N-[(1S)-1-phenylethyl]benzamide
CID 814199
2,4-dimethoxybenzoic acid
CID 67450326
2,4-dimethoxybenzoic acid
CID 7052
3-(2,4-dimethoxyphenyl)-2-(2-methoxyphenyl)-3-oxopropanal
CID 123189211
1-(2,4-dimethoxyphenyl)-2-ethylbutan-1-one
CID 114971207
(2R,3R)-1-(2,4-dimethoxyphenyl)-2,3-dimorpholin-4-yl-3-phenylpropan-1-one
CID 92573468
3-[(2,4-dimethoxybenzoyl)amino]-3-phenylpropanoic acid
CID 45461179
1-(2,4-dimethoxyphenyl)-2-hydroxy-2-(4-hydroxyphenyl)ethanone
CID 91509834
[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl] 2,4-dimethoxybenzoate
CID 2505113
3-amino-1-(2,4-dimethoxyphenyl)propan-1-one
CID 93183350
(2R)-2-amino-1-(4-chloro-2-fluorophenyl)-2-phenylethanone
CID 104891231

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-1-(2,4-dimethoxyphenyl)-2-phenylethanone?
The IUPAC name of (2R)-2-amino-1-(2,4-dimethoxyphenyl)-2-phenylethanone (CID 104890975) is (2R)-2-amino-1-(2,4-dimethoxyphenyl)-2-phenylethanone.
What is the SMILES notation for (2R)-2-amino-1-(2,4-dimethoxyphenyl)-2-phenylethanone?
The canonical SMILES for (2R)-2-amino-1-(2,4-dimethoxyphenyl)-2-phenylethanone is COc1ccc(C(=O)[C@H](N)c2ccccc2)c(OC)c1.
What is the InChIKey of (2R)-2-amino-1-(2,4-dimethoxyphenyl)-2-phenylethanone?
The InChIKey is IAVIYLDTHHFRFE-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H17NO3/c1-19-12-8-9-13(14(10-12)20-2)16(18)15(17)11-6-4-3-5-7-11/h3-10,15H,17H2,1-2H3/t15-/m1/s1.
What are the key properties of (2R)-2-amino-1-(2,4-dimethoxyphenyl)-2-phenylethanone?
(2R)-2-amino-1-(2,4-dimethoxyphenyl)-2-phenylethanone has a molecular weight of 271.32 g/mol, XLogP of 2.59, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-1-(2,4-dimethoxyphenyl)-2-phenylethanone is sourced from PubChem (CID 104890975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).