2-[2-methyl-3-(methylamino)-5-phenylphenyl]acetic acid

C16H17NO2 — CID 175273453

IUPAC2-[2-methyl-3-(methylamino)-5-phenylphenyl]acetic acid
SMILESCNc1cc(-c2ccccc2)cc(CC(=O)O)c1C
InChIInChI=1S/C16H17NO2/c1-11-13(10-16(18)19)8-14(9-15(11)17-2)12-6-4-3-5-7-12/h3-9,17H,10H2,1-2H3,(H,18,19)
InChIKeyDJVHXAKRNRZQHP-UHFFFAOYSA-N
MW255.32 g/mol
LogP3.33
Rot. Bonds4

About 2-[2-methyl-3-(methylamino)-5-phenylphenyl]acetic acid

2-[2-methyl-3-(methylamino)-5-phenylphenyl]acetic acid (PubChem CID 175273453) has the molecular formula C16H17NO2 and a molecular weight of 255.32 g/mol. Its IUPAC name is 2-[2-methyl-3-(methylamino)-5-phenylphenyl]acetic acid.

Molecular Properties

Compound Name2-[2-methyl-3-(methylamino)-5-phenylphenyl]acetic acid
PubChem CID175273453
Molecular FormulaC16H17NO2
Molecular Weight255.32 g/mol
Exact Mass255.13
IUPAC Name2-[2-methyl-3-(methylamino)-5-phenylphenyl]acetic acid
SMILESCNc1cc(-c2ccccc2)cc(CC(=O)O)c1C
InChIInChI=1S/C16H17NO2/c1-11-13(10-16(18)19)8-14(9-15(11)17-2)12-6-4-3-5-7-12/h3-9,17H,10H2,1-2H3,(H,18,19)
InChIKeyDJVHXAKRNRZQHP-UHFFFAOYSA-N
XLogP3.33
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3,5-diphenylphenyl)acetic acid
CID 20542723
2-(2-fluoro-5-phenylphenyl)acetic acid
CID 46314800
2-[2-methyl-5-[3-(4-methylphenyl)phenyl]phenyl]acetic acid
CID 68810177
2-(2-ethyl-6-methoxy-4-phenylphenyl)acetic acid
CID 66707549
2-methyl-3-(methylamino)-6-phenylbenzoic acid
CID 69191389
methyl 2-(2-hydroxy-5-phenylphenyl)acetate
CID 174533369
2-(3-acetamido-2-methylphenyl)acetic acid
CID 84819235
2-[2-(aminomethyl)-5-phenylphenyl]acetic acid
CID 67211965
2,6-dimethyl-3,5-bis(methylamino)benzoic acid
CID 87451641
(3-carboxy-2-methyl-5-phenylphenyl)methanesulfinate
CID 174624461
2-(2-methylphenyl)acetic acid
CID 67440217
2-(3-methyl-4-phenylphenyl)acetic acid
CID 18793942

Frequently Asked Questions

What is the IUPAC name of 2-[2-methyl-3-(methylamino)-5-phenylphenyl]acetic acid?
The IUPAC name of 2-[2-methyl-3-(methylamino)-5-phenylphenyl]acetic acid (CID 175273453) is 2-[2-methyl-3-(methylamino)-5-phenylphenyl]acetic acid.
What is the SMILES notation for 2-[2-methyl-3-(methylamino)-5-phenylphenyl]acetic acid?
The canonical SMILES for 2-[2-methyl-3-(methylamino)-5-phenylphenyl]acetic acid is CNc1cc(-c2ccccc2)cc(CC(=O)O)c1C.
What is the InChIKey of 2-[2-methyl-3-(methylamino)-5-phenylphenyl]acetic acid?
The InChIKey is DJVHXAKRNRZQHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO2/c1-11-13(10-16(18)19)8-14(9-15(11)17-2)12-6-4-3-5-7-12/h3-9,17H,10H2,1-2H3,(H,18,19).
What are the key properties of 2-[2-methyl-3-(methylamino)-5-phenylphenyl]acetic acid?
2-[2-methyl-3-(methylamino)-5-phenylphenyl]acetic acid has a molecular weight of 255.32 g/mol, XLogP of 3.33, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methyl-3-(methylamino)-5-phenylphenyl]acetic acid is sourced from PubChem (CID 175273453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).