(2R)-2-amino-2-(4-methylphenyl)-1,2-diphenylethanone

C21H19NO — CID 102359954

IUPAC(2R)-2-amino-2-(4-methylphenyl)-1,2-diphenylethanone
SMILESCc1ccc([C@@](N)(C(=O)c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C21H19NO/c1-16-12-14-19(15-13-16)21(22,18-10-6-3-7-11-18)20(23)17-8-4-2-5-9-17/h2-15H,22H2,1H3/t21-/m1/s1
InChIKeyZDUHNTHCVBLFMO-OAQYLSRUSA-N
MW301.39 g/mol
LogP4.08
Rot. Bonds4

About (2R)-2-amino-2-(4-methylphenyl)-1,2-diphenylethanone

(2R)-2-amino-2-(4-methylphenyl)-1,2-diphenylethanone (PubChem CID 102359954) has the molecular formula C21H19NO and a molecular weight of 301.39 g/mol. Its IUPAC name is (2R)-2-amino-2-(4-methylphenyl)-1,2-diphenylethanone.

Molecular Properties

Compound Name(2R)-2-amino-2-(4-methylphenyl)-1,2-diphenylethanone
PubChem CID102359954
Molecular FormulaC21H19NO
Molecular Weight301.39 g/mol
Exact Mass301.15
IUPAC Name(2R)-2-amino-2-(4-methylphenyl)-1,2-diphenylethanone
SMILESCc1ccc([C@@](N)(C(=O)c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C21H19NO/c1-16-12-14-19(15-13-16)21(22,18-10-6-3-7-11-18)20(23)17-8-4-2-5-9-17/h2-15H,22H2,1H3/t21-/m1/s1
InChIKeyZDUHNTHCVBLFMO-OAQYLSRUSA-N
XLogP4.08
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-methylphenyl)-1,2,2-triphenylethanone
CID 122207100
3,3-difluoro-2-methyl-2-(4-methylphenyl)-1-phenylpropan-1-one
CID 151177230
benzoic acid;4-methylbenzoic acid
CID 71272637
bis(4-tritylbenzoic acid);1,4-xylene
CID 139197830
2-(4-methylphenyl)-2,2-diphenylacetic acid
CID 19733760
benzoic acid;4-methylaniline
CID 86190446
methyl 2-amino-2-hydroxy-3-oxo-3-phenylpropanoate
CID 70380510
diphenylmethanone;(4-methylphenyl)-phenylmethanone
CID 69336781
1-methyl-4-[(4-methylphenyl)-diphenylmethyl]benzene
CID 22957062
2-chloro-1,2,2-triphenylethanone
CID 11301235
2-methyl-2-(4-methylphenyl)sulfonyl-1-phenylpropan-1-one
CID 13445258
2-amino-2-nitro-1,2-diphenylethanone
CID 174848999

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-2-(4-methylphenyl)-1,2-diphenylethanone?
The IUPAC name of (2R)-2-amino-2-(4-methylphenyl)-1,2-diphenylethanone (CID 102359954) is (2R)-2-amino-2-(4-methylphenyl)-1,2-diphenylethanone.
What is the SMILES notation for (2R)-2-amino-2-(4-methylphenyl)-1,2-diphenylethanone?
The canonical SMILES for (2R)-2-amino-2-(4-methylphenyl)-1,2-diphenylethanone is Cc1ccc([C@@](N)(C(=O)c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of (2R)-2-amino-2-(4-methylphenyl)-1,2-diphenylethanone?
The InChIKey is ZDUHNTHCVBLFMO-OAQYLSRUSA-N. The full InChI is InChI=1S/C21H19NO/c1-16-12-14-19(15-13-16)21(22,18-10-6-3-7-11-18)20(23)17-8-4-2-5-9-17/h2-15H,22H2,1H3/t21-/m1/s1.
What are the key properties of (2R)-2-amino-2-(4-methylphenyl)-1,2-diphenylethanone?
(2R)-2-amino-2-(4-methylphenyl)-1,2-diphenylethanone has a molecular weight of 301.39 g/mol, XLogP of 4.08, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-2-(4-methylphenyl)-1,2-diphenylethanone is sourced from PubChem (CID 102359954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).