2-[(4-methylphenyl)methylamino]-2,2-diphenylacetic acid

C22H21NO2 — CID 175102525

IUPAC2-[(4-methylphenyl)methylamino]-2,2-diphenylacetic acid
SMILESCc1ccc(CNC(C(=O)O)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C22H21NO2/c1-17-12-14-18(15-13-17)16-23-22(21(24)25,19-8-4-2-5-9-19)20-10-6-3-7-11-20/h2-15,23H,16H2,1H3,(H,24,25)
InChIKeyCSXWAZAVYWJBQP-UHFFFAOYSA-N
MW331.42 g/mol
LogP4.11
Rot. Bonds6

About 2-[(4-methylphenyl)methylamino]-2,2-diphenylacetic acid

2-[(4-methylphenyl)methylamino]-2,2-diphenylacetic acid (PubChem CID 175102525) has the molecular formula C22H21NO2 and a molecular weight of 331.42 g/mol. Its IUPAC name is 2-[(4-methylphenyl)methylamino]-2,2-diphenylacetic acid.

Molecular Properties

Compound Name2-[(4-methylphenyl)methylamino]-2,2-diphenylacetic acid
PubChem CID175102525
Molecular FormulaC22H21NO2
Molecular Weight331.42 g/mol
Exact Mass331.16
IUPAC Name2-[(4-methylphenyl)methylamino]-2,2-diphenylacetic acid
SMILESCc1ccc(CNC(C(=O)O)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C22H21NO2/c1-17-12-14-18(15-13-17)16-23-22(21(24)25,19-8-4-2-5-9-19)20-10-6-3-7-11-20/h2-15,23H,16H2,1H3,(H,24,25)
InChIKeyCSXWAZAVYWJBQP-UHFFFAOYSA-N
XLogP4.11
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-methylphenyl)methyl]-2-[(4-methylphenyl)methylamino]-2,2-diphenylacetamide
CID 5153157
3,3,3-trifluoro-2-methyl-2-[(4-methylphenyl)methylamino]propanoic acid
CID 79789915
2-methyl-2-[(4-phenylphenyl)methylamino]propanoic acid
CID 65265422
(2R)-2-[(4-bromophenyl)methylamino]-2-phenylpropanoic acid
CID 11727351
2-(benzylamino)-2-(4-methylphenyl)propan-1-ol
CID 61045814
2-(4-methylphenyl)-2,2-diphenylacetic acid
CID 19733760
2-methyl-2-[[2-[(4-methylphenyl)methylamino]-2-oxoethyl]amino]propanoic acid
CID 65264174
methyl 2-(benzylamino)-2,3-diphenylpropanoate
CID 113225267
N,N'-bis[(4-methylphenyl)methyl]oxamide
CID 3116969
N-[(4-methylphenyl)methyl]-2-phenylethanamine;oxalic acid
CID 17053119
2,2-diphenyl-2-[(2,4,6-trimethylbenzoyl)amino]acetic acid
CID 12959116
N-[(4-methylphenyl)methyl]-4-phenylbenzamide
CID 1228171

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methylphenyl)methylamino]-2,2-diphenylacetic acid?
The IUPAC name of 2-[(4-methylphenyl)methylamino]-2,2-diphenylacetic acid (CID 175102525) is 2-[(4-methylphenyl)methylamino]-2,2-diphenylacetic acid.
What is the SMILES notation for 2-[(4-methylphenyl)methylamino]-2,2-diphenylacetic acid?
The canonical SMILES for 2-[(4-methylphenyl)methylamino]-2,2-diphenylacetic acid is Cc1ccc(CNC(C(=O)O)(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of 2-[(4-methylphenyl)methylamino]-2,2-diphenylacetic acid?
The InChIKey is CSXWAZAVYWJBQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21NO2/c1-17-12-14-18(15-13-17)16-23-22(21(24)25,19-8-4-2-5-9-19)20-10-6-3-7-11-20/h2-15,23H,16H2,1H3,(H,24,25).
What are the key properties of 2-[(4-methylphenyl)methylamino]-2,2-diphenylacetic acid?
2-[(4-methylphenyl)methylamino]-2,2-diphenylacetic acid has a molecular weight of 331.42 g/mol, XLogP of 4.11, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methylphenyl)methylamino]-2,2-diphenylacetic acid is sourced from PubChem (CID 175102525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).