(2R)-2-amino-1-(4-methoxy-2-methylphenyl)-2-phenylethanone

C16H17NO2 — CID 104891125

IUPAC(2R)-2-amino-1-(4-methoxy-2-methylphenyl)-2-phenylethanone
SMILESCOc1ccc(C(=O)[C@H](N)c2ccccc2)c(C)c1
InChIInChI=1S/C16H17NO2/c1-11-10-13(19-2)8-9-14(11)16(18)15(17)12-6-4-3-5-7-12/h3-10,15H,17H2,1-2H3/t15-/m1/s1
InChIKeyDCJBHIKCTAHFFD-OAHLLOKOSA-N
MW255.32 g/mol
LogP2.89
Rot. Bonds4

About (2R)-2-amino-1-(4-methoxy-2-methylphenyl)-2-phenylethanone

(2R)-2-amino-1-(4-methoxy-2-methylphenyl)-2-phenylethanone (PubChem CID 104891125) has the molecular formula C16H17NO2 and a molecular weight of 255.32 g/mol. Its IUPAC name is (2R)-2-amino-1-(4-methoxy-2-methylphenyl)-2-phenylethanone.

Molecular Properties

Compound Name(2R)-2-amino-1-(4-methoxy-2-methylphenyl)-2-phenylethanone
PubChem CID104891125
Molecular FormulaC16H17NO2
Molecular Weight255.32 g/mol
Exact Mass255.13
IUPAC Name(2R)-2-amino-1-(4-methoxy-2-methylphenyl)-2-phenylethanone
SMILESCOc1ccc(C(=O)[C@H](N)c2ccccc2)c(C)c1
InChIInChI=1S/C16H17NO2/c1-11-10-13(19-2)8-9-14(11)16(18)15(17)12-6-4-3-5-7-12/h3-10,15H,17H2,1-2H3/t15-/m1/s1
InChIKeyDCJBHIKCTAHFFD-OAHLLOKOSA-N
XLogP2.89
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-amino-1-(2,4-dimethoxyphenyl)-2-phenylethanone
CID 104890975
2-amino-1-(4-methoxy-2-methylphenyl)-3-methylpentan-1-one
CID 116552805
2-amino-1-(4-methoxy-2-methylphenyl)-4-methylpentan-1-one
CID 116553575
1-(4-methoxy-2-methylphenyl)-2-methylbutan-1-one
CID 65313346
2-(aminomethyl)-1-(4-methoxy-2-methylphenyl)-3-methylbutan-1-one
CID 116573984
2-(4-aminophenoxy)-1-(4-methoxy-2-methylphenyl)propan-1-one
CID 46307714
(2R)-2-amino-1-(4-chloro-2-fluorophenyl)-2-phenylethanone
CID 104891231
2-cyclopropyl-1-(4-methoxy-2-methylphenyl)propan-1-one
CID 114965532
1-(2-bromo-4-methoxyphenyl)-2-phenylbutan-1-one
CID 60787106
1-(4-methoxy-2-methylphenyl)-2-methyl-3-(methylamino)propan-1-one
CID 116586918
4-methoxy-2-methyl-1-[1,2,2-tris(4-methoxy-2-methylphenyl)ethenyl]benzene
CID 102177256
(4-methoxy-2-methylphenyl)-phenylmethanol
CID 61101114

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-1-(4-methoxy-2-methylphenyl)-2-phenylethanone?
The IUPAC name of (2R)-2-amino-1-(4-methoxy-2-methylphenyl)-2-phenylethanone (CID 104891125) is (2R)-2-amino-1-(4-methoxy-2-methylphenyl)-2-phenylethanone.
What is the SMILES notation for (2R)-2-amino-1-(4-methoxy-2-methylphenyl)-2-phenylethanone?
The canonical SMILES for (2R)-2-amino-1-(4-methoxy-2-methylphenyl)-2-phenylethanone is COc1ccc(C(=O)[C@H](N)c2ccccc2)c(C)c1.
What is the InChIKey of (2R)-2-amino-1-(4-methoxy-2-methylphenyl)-2-phenylethanone?
The InChIKey is DCJBHIKCTAHFFD-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H17NO2/c1-11-10-13(19-2)8-9-14(11)16(18)15(17)12-6-4-3-5-7-12/h3-10,15H,17H2,1-2H3/t15-/m1/s1.
What are the key properties of (2R)-2-amino-1-(4-methoxy-2-methylphenyl)-2-phenylethanone?
(2R)-2-amino-1-(4-methoxy-2-methylphenyl)-2-phenylethanone has a molecular weight of 255.32 g/mol, XLogP of 2.89, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-1-(4-methoxy-2-methylphenyl)-2-phenylethanone is sourced from PubChem (CID 104891125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).