2-[(2-propylanilino)methyl]benzoic acid

C17H19NO2 — CID 103246196

IUPAC2-[(2-propylanilino)methyl]benzoic acid
SMILESCCCc1ccccc1NCc1ccccc1C(=O)O
InChIInChI=1S/C17H19NO2/c1-2-7-13-8-4-6-11-16(13)18-12-14-9-3-5-10-15(14)17(19)20/h3-6,8-11,18H,2,7,12H2,1H3,(H,19,20)
InChIKeyOCTIYAKJJXXMRC-UHFFFAOYSA-N
MW269.34 g/mol
LogP3.95
Rot. Bonds6

About 2-[(2-propylanilino)methyl]benzoic acid

2-[(2-propylanilino)methyl]benzoic acid (PubChem CID 103246196) has the molecular formula C17H19NO2 and a molecular weight of 269.34 g/mol. Its IUPAC name is 2-[(2-propylanilino)methyl]benzoic acid.

Molecular Properties

Compound Name2-[(2-propylanilino)methyl]benzoic acid
PubChem CID103246196
Molecular FormulaC17H19NO2
Molecular Weight269.34 g/mol
Exact Mass269.14
IUPAC Name2-[(2-propylanilino)methyl]benzoic acid
SMILESCCCc1ccccc1NCc1ccccc1C(=O)O
InChIInChI=1S/C17H19NO2/c1-2-7-13-8-4-6-11-16(13)18-12-14-9-3-5-10-15(14)17(19)20/h3-6,8-11,18H,2,7,12H2,1H3,(H,19,20)
InChIKeyOCTIYAKJJXXMRC-UHFFFAOYSA-N
XLogP3.95
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-[(2-propylanilino)methyl]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

2-[[2-(2-methoxyethyl)anilino]methyl]benzoic acid
CID 103268818
2-propanoylbenzoic acid;2-propylbenzoic acid
CID 159537259
2-[(2-bromophenyl)methylamino]benzoic acid
CID 43139537
2-[(2-cyanophenyl)methylamino]benzoic acid
CID 107935866
N-[2-(2-propylanilino)ethyl]acetamide
CID 107529290
2-[[(1-ethyl-3-methylpyrazol-4-yl)amino]methyl]benzoic acid;hydrochloride
CID 126966296
3-methyl-4-[(2-propylanilino)methyl]benzonitrile
CID 114480098
2-ethylbenzoic acid;tungsten
CID 23518478
ethane;N-(2-propylphenyl)acetamide
CID 142804217
azane;2-butylbenzoic acid
CID 174819524
2-propyl-N-(pyrimidin-2-ylmethyl)aniline
CID 62700857
2-[[(2-propan-2-yloxy-3-pyridinyl)amino]methyl]benzoic acid
CID 103243931

Frequently Asked Questions

What is the IUPAC name of 2-[(2-propylanilino)methyl]benzoic acid?
The IUPAC name of 2-[(2-propylanilino)methyl]benzoic acid (CID 103246196) is 2-[(2-propylanilino)methyl]benzoic acid.
What is the SMILES notation for 2-[(2-propylanilino)methyl]benzoic acid?
The canonical SMILES for 2-[(2-propylanilino)methyl]benzoic acid is CCCc1ccccc1NCc1ccccc1C(=O)O.
What is the InChIKey of 2-[(2-propylanilino)methyl]benzoic acid?
The InChIKey is OCTIYAKJJXXMRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO2/c1-2-7-13-8-4-6-11-16(13)18-12-14-9-3-5-10-15(14)17(19)20/h3-6,8-11,18H,2,7,12H2,1H3,(H,19,20).
What are the key properties of 2-[(2-propylanilino)methyl]benzoic acid?
2-[(2-propylanilino)methyl]benzoic acid has a molecular weight of 269.34 g/mol, XLogP of 3.95, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-propylanilino)methyl]benzoic acid is sourced from PubChem (CID 103246196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).