5-methyl-2-[(4-methylphenyl)methylamino]benzoic acid

C16H17NO2 — CID 62514277

IUPAC5-methyl-2-[(4-methylphenyl)methylamino]benzoic acid
SMILESCc1ccc(CNc2ccc(C)cc2C(=O)O)cc1
InChIInChI=1S/C16H17NO2/c1-11-3-6-13(7-4-11)10-17-15-8-5-12(2)9-14(15)16(18)19/h3-9,17H,10H2,1-2H3,(H,18,19)
InChIKeyLVZGKXMAGBWTRZ-UHFFFAOYSA-N
MW255.32 g/mol
LogP3.61
Rot. Bonds4

About 5-methyl-2-[(4-methylphenyl)methylamino]benzoic acid

5-methyl-2-[(4-methylphenyl)methylamino]benzoic acid (PubChem CID 62514277) has the molecular formula C16H17NO2 and a molecular weight of 255.32 g/mol. Its IUPAC name is 5-methyl-2-[(4-methylphenyl)methylamino]benzoic acid.

Molecular Properties

Compound Name5-methyl-2-[(4-methylphenyl)methylamino]benzoic acid
PubChem CID62514277
Molecular FormulaC16H17NO2
Molecular Weight255.32 g/mol
Exact Mass255.13
IUPAC Name5-methyl-2-[(4-methylphenyl)methylamino]benzoic acid
SMILESCc1ccc(CNc2ccc(C)cc2C(=O)O)cc1
InChIInChI=1S/C16H17NO2/c1-11-3-6-13(7-4-11)10-17-15-8-5-12(2)9-14(15)16(18)19/h3-9,17H,10H2,1-2H3,(H,18,19)
InChIKeyLVZGKXMAGBWTRZ-UHFFFAOYSA-N
XLogP3.61
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 ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-fluoro-2-[(4-methylphenyl)methylamino]benzoic acid
CID 63673662
2-[(2-amino-2-oxoethyl)amino]-5-methylbenzoic acid
CID 18802501
2-[2-(4-fluorophenyl)ethylamino]-5-methylbenzoic acid
CID 63528850
2-(butylamino)-5-methylbenzoic acid
CID 18802498
5-methyl-2-[(1-methylcyclopentyl)methylamino]benzoic acid
CID 63830331
5-methyl-2-[(5-methyl-1,2-oxazol-3-yl)methylamino]benzoic acid
CID 62514497
5-methyl-2-(3-methylbutylamino)benzoic acid
CID 18802499
5-methyl-2-[(4-methyl-1,3-thiazol-2-yl)methylamino]benzoic acid
CID 62516219
5-methyl-2-(2-pyridin-4-ylethylamino)benzoic acid
CID 62515343
2-[[1-(hydroxymethyl)cyclopentyl]methylamino]-5-methylbenzoic acid
CID 115360531
2-methoxy-4-methyl-N-[(4-methylphenyl)methyl]aniline
CID 54865900
2-[3-(ethylamino)propylamino]-5-methylbenzoic acid
CID 55082979

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-[(4-methylphenyl)methylamino]benzoic acid?
The IUPAC name of 5-methyl-2-[(4-methylphenyl)methylamino]benzoic acid (CID 62514277) is 5-methyl-2-[(4-methylphenyl)methylamino]benzoic acid.
What is the SMILES notation for 5-methyl-2-[(4-methylphenyl)methylamino]benzoic acid?
The canonical SMILES for 5-methyl-2-[(4-methylphenyl)methylamino]benzoic acid is Cc1ccc(CNc2ccc(C)cc2C(=O)O)cc1.
What is the InChIKey of 5-methyl-2-[(4-methylphenyl)methylamino]benzoic acid?
The InChIKey is LVZGKXMAGBWTRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO2/c1-11-3-6-13(7-4-11)10-17-15-8-5-12(2)9-14(15)16(18)19/h3-9,17H,10H2,1-2H3,(H,18,19).
What are the key properties of 5-methyl-2-[(4-methylphenyl)methylamino]benzoic acid?
5-methyl-2-[(4-methylphenyl)methylamino]benzoic acid has a molecular weight of 255.32 g/mol, XLogP of 3.61, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-[(4-methylphenyl)methylamino]benzoic acid is sourced from PubChem (CID 62514277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).