4-methyl-3-[1-(3-methylphenyl)ethylamino]benzoic acid

C17H19NO2 — CID 43787480

IUPAC4-methyl-3-[1-(3-methylphenyl)ethylamino]benzoic acid
SMILESCc1cccc(C(C)Nc2cc(C(=O)O)ccc2C)c1
InChIInChI=1S/C17H19NO2/c1-11-5-4-6-14(9-11)13(3)18-16-10-15(17(19)20)8-7-12(16)2/h4-10,13,18H,1-3H3,(H,19,20)
InChIKeyPCNURWBHVUCUDT-UHFFFAOYSA-N
MW269.34 g/mol
LogP4.17
Rot. Bonds4

About 4-methyl-3-[1-(3-methylphenyl)ethylamino]benzoic acid

4-methyl-3-[1-(3-methylphenyl)ethylamino]benzoic acid (PubChem CID 43787480) has the molecular formula C17H19NO2 and a molecular weight of 269.34 g/mol. Its IUPAC name is 4-methyl-3-[1-(3-methylphenyl)ethylamino]benzoic acid.

Molecular Properties

Compound Name4-methyl-3-[1-(3-methylphenyl)ethylamino]benzoic acid
PubChem CID43787480
Molecular FormulaC17H19NO2
Molecular Weight269.34 g/mol
Exact Mass269.14
IUPAC Name4-methyl-3-[1-(3-methylphenyl)ethylamino]benzoic acid
SMILESCc1cccc(C(C)Nc2cc(C(=O)O)ccc2C)c1
InChIInChI=1S/C17H19NO2/c1-11-5-4-6-14(9-11)13(3)18-16-10-15(17(19)20)8-7-12(16)2/h4-10,13,18H,1-3H3,(H,19,20)
InChIKeyPCNURWBHVUCUDT-UHFFFAOYSA-N
XLogP4.17
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4-methyl-3-[1-(3-methylphenyl)ethylamino]benzoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-methyl-3-[1-(3-methylphenyl)ethylamino]phenyl]acetamide
CID 43789836
5-iodo-2-methyl-N-[1-(3-methylphenyl)ethyl]aniline
CID 114257190
3-[1-(2-hydroxyphenyl)ethylamino]-4-methylbenzoic acid
CID 43727547
4-[1-(3-bromophenyl)ethylamino]-3-methylbenzoic acid
CID 43736128
3-[1-(5-bromofuran-2-yl)ethylamino]-4-methylbenzoic acid
CID 104652572
4-fluoro-3-[1-(3-methoxyphenyl)ethylamino]benzoic acid
CID 43728194
3-chloro-4-(1-phenylethylamino)benzoic acid
CID 63088121
3-[2-(5-carboxy-2-methylphenyl)hydrazinyl]-4-methylbenzoic acid
CID 134880122
3-[1-(3-cyanophenyl)ethylamino]-4-fluorobenzoic acid
CID 43787606
3-bromo-4-[1-(3-fluoro-4-methylphenyl)ethylamino]benzoic acid
CID 82787749
2-[[(1S)-1-(3-methylphenyl)ethyl]amino]propanoic acid
CID 81363547
2-[1-(3-chlorophenyl)ethylamino]-4-methylbenzoic acid
CID 63511697

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-[1-(3-methylphenyl)ethylamino]benzoic acid?
The IUPAC name of 4-methyl-3-[1-(3-methylphenyl)ethylamino]benzoic acid (CID 43787480) is 4-methyl-3-[1-(3-methylphenyl)ethylamino]benzoic acid.
What is the SMILES notation for 4-methyl-3-[1-(3-methylphenyl)ethylamino]benzoic acid?
The canonical SMILES for 4-methyl-3-[1-(3-methylphenyl)ethylamino]benzoic acid is Cc1cccc(C(C)Nc2cc(C(=O)O)ccc2C)c1.
What is the InChIKey of 4-methyl-3-[1-(3-methylphenyl)ethylamino]benzoic acid?
The InChIKey is PCNURWBHVUCUDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO2/c1-11-5-4-6-14(9-11)13(3)18-16-10-15(17(19)20)8-7-12(16)2/h4-10,13,18H,1-3H3,(H,19,20).
What are the key properties of 4-methyl-3-[1-(3-methylphenyl)ethylamino]benzoic acid?
4-methyl-3-[1-(3-methylphenyl)ethylamino]benzoic acid has a molecular weight of 269.34 g/mol, XLogP of 4.17, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-[1-(3-methylphenyl)ethylamino]benzoic acid is sourced from PubChem (CID 43787480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).