2-(N-butylanilino)-5-methylbenzoic acid

C18H21NO2 — CID 64586948

IUPAC2-(N-butylanilino)-5-methylbenzoic acid
SMILESCCCCN(c1ccccc1)c1ccc(C)cc1C(=O)O
InChIInChI=1S/C18H21NO2/c1-3-4-12-19(15-8-6-5-7-9-15)17-11-10-14(2)13-16(17)18(20)21/h5-11,13H,3-4,12H2,1-2H3,(H,20,21)
InChIKeyOEMGAPQBPFHUJQ-UHFFFAOYSA-N
MW283.37 g/mol
LogP4.63
Rot. Bonds6

About 2-(N-butylanilino)-5-methylbenzoic acid

2-(N-butylanilino)-5-methylbenzoic acid (PubChem CID 64586948) has the molecular formula C18H21NO2 and a molecular weight of 283.37 g/mol. Its IUPAC name is 2-(N-butylanilino)-5-methylbenzoic acid.

Molecular Properties

Compound Name2-(N-butylanilino)-5-methylbenzoic acid
PubChem CID64586948
Molecular FormulaC18H21NO2
Molecular Weight283.37 g/mol
Exact Mass283.16
IUPAC Name2-(N-butylanilino)-5-methylbenzoic acid
SMILESCCCCN(c1ccccc1)c1ccc(C)cc1C(=O)O
InChIInChI=1S/C18H21NO2/c1-3-4-12-19(15-8-6-5-7-9-15)17-11-10-14(2)13-16(17)18(20)21/h5-11,13H,3-4,12H2,1-2H3,(H,20,21)
InChIKeyOEMGAPQBPFHUJQ-UHFFFAOYSA-N
XLogP4.63
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(N-butylanilino)-5-methylbenzoic 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

2-(N-butylanilino)benzoic acid
CID 64586364
4-amino-2-(N-butylanilino)benzoic acid
CID 64584256
1-[2-(N-butylanilino)-5-fluorophenyl]ethanone
CID 64584619
5-methyl-2-[methyl(pentyl)amino]benzoic acid
CID 62514125
5-nitro-2-(N-propylanilino)benzoic acid
CID 54352931
N-butyl-2-hydroxy-5-methyl-N-phenylbenzamide
CID 60715687
2-[butyl(methyl)amino]-4-methylbenzoic acid
CID 62701140
1-[4-(N-butylanilino)-3-chlorophenyl]ethanone
CID 64584427
5-chloro-2-(N-ethylanilino)benzoic acid
CID 63512751
5-amino-2-(N-ethylanilino)benzoic acid
CID 54888269
N-butyl-N-phenylaniline;hydrobromide
CID 70419495
1,4-bis(N-butylanilino)anthracene-9,10-dione
CID 71392978

Frequently Asked Questions

What is the IUPAC name of 2-(N-butylanilino)-5-methylbenzoic acid?
The IUPAC name of 2-(N-butylanilino)-5-methylbenzoic acid (CID 64586948) is 2-(N-butylanilino)-5-methylbenzoic acid.
What is the SMILES notation for 2-(N-butylanilino)-5-methylbenzoic acid?
The canonical SMILES for 2-(N-butylanilino)-5-methylbenzoic acid is CCCCN(c1ccccc1)c1ccc(C)cc1C(=O)O.
What is the InChIKey of 2-(N-butylanilino)-5-methylbenzoic acid?
The InChIKey is OEMGAPQBPFHUJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO2/c1-3-4-12-19(15-8-6-5-7-9-15)17-11-10-14(2)13-16(17)18(20)21/h5-11,13H,3-4,12H2,1-2H3,(H,20,21).
What are the key properties of 2-(N-butylanilino)-5-methylbenzoic acid?
2-(N-butylanilino)-5-methylbenzoic acid has a molecular weight of 283.37 g/mol, XLogP of 4.63, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-butylanilino)-5-methylbenzoic acid is sourced from PubChem (CID 64586948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).