2-[(4-methylphenyl)methylamino]-2-phenylacetic acid

C16H17NO2 — CID 55036353

IUPAC2-[(4-methylphenyl)methylamino]-2-phenylacetic acid
SMILESCc1ccc(CNC(C(=O)O)c2ccccc2)cc1
InChIInChI=1S/C16H17NO2/c1-12-7-9-13(10-8-12)11-17-15(16(18)19)14-5-3-2-4-6-14/h2-10,15,17H,11H2,1H3,(H,18,19)
InChIKeyOOISVMRSLRPJFS-UHFFFAOYSA-N
MW255.32 g/mol
LogP2.91
Rot. Bonds5

About 2-[(4-methylphenyl)methylamino]-2-phenylacetic acid

2-[(4-methylphenyl)methylamino]-2-phenylacetic acid (PubChem CID 55036353) has the molecular formula C16H17NO2 and a molecular weight of 255.32 g/mol. Its IUPAC name is 2-[(4-methylphenyl)methylamino]-2-phenylacetic acid.

Molecular Properties

Compound Name2-[(4-methylphenyl)methylamino]-2-phenylacetic acid
PubChem CID55036353
Molecular FormulaC16H17NO2
Molecular Weight255.32 g/mol
Exact Mass255.13
IUPAC Name2-[(4-methylphenyl)methylamino]-2-phenylacetic acid
SMILESCc1ccc(CNC(C(=O)O)c2ccccc2)cc1
InChIInChI=1S/C16H17NO2/c1-12-7-9-13(10-8-12)11-17-15(16(18)19)14-5-3-2-4-6-14/h2-10,15,17H,11H2,1H3,(H,18,19)
InChIKeyOOISVMRSLRPJFS-UHFFFAOYSA-N
XLogP2.91
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-(benzylamino)-2-(4-methylphenyl)acetic acid
CID 10587129
2-(3-hydroxyphenyl)-2-[(4-methylphenyl)methylamino]acetic acid
CID 84746836
(2S)-2-[[4-(aminomethyl)phenyl]methylamino]-2-phenylacetic acid
CID 68782379
2-(4-ethoxyphenyl)-2-[(4-methylphenyl)methylamino]acetic acid
CID 82344798
(2R)-2-(benzylamino)-2-(4-methylphenyl)acetamide
CID 10824853
(2R)-2-[[4-(2-methylpropoxy)phenyl]methylamino]-2-phenylacetic acid
CID 120510362
(2S)-2-[[4-(2-methylpropoxy)phenyl]methylamino]-2-phenylacetic acid
CID 120511819
(2S)-N-(2,5-dimethylphenyl)-2-[(4-methylphenyl)methylamino]-2-phenylacetamide
CID 7928830
(2S)-2-[(4-cyclobutylphenyl)methylamino]-2-phenylacetic acid
CID 122038518
4-[(benzylamino)-carboxymethyl]benzoic acid
CID 10085320
(2R)-2-(benzylamino)-2-(4-methoxyphenyl)acetic acid
CID 10612160
(2S)-2-[[4-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]phenyl]methylamino]-2-phenylacetic acid
CID 87239867

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methylphenyl)methylamino]-2-phenylacetic acid?
The IUPAC name of 2-[(4-methylphenyl)methylamino]-2-phenylacetic acid (CID 55036353) is 2-[(4-methylphenyl)methylamino]-2-phenylacetic acid.
What is the SMILES notation for 2-[(4-methylphenyl)methylamino]-2-phenylacetic acid?
The canonical SMILES for 2-[(4-methylphenyl)methylamino]-2-phenylacetic acid is Cc1ccc(CNC(C(=O)O)c2ccccc2)cc1.
What is the InChIKey of 2-[(4-methylphenyl)methylamino]-2-phenylacetic acid?
The InChIKey is OOISVMRSLRPJFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO2/c1-12-7-9-13(10-8-12)11-17-15(16(18)19)14-5-3-2-4-6-14/h2-10,15,17H,11H2,1H3,(H,18,19).
What are the key properties of 2-[(4-methylphenyl)methylamino]-2-phenylacetic acid?
2-[(4-methylphenyl)methylamino]-2-phenylacetic acid has a molecular weight of 255.32 g/mol, XLogP of 2.91, 5 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-phenylacetic acid is sourced from PubChem (CID 55036353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).