2-chloro-5-[(2-methoxy-5-methylphenyl)methylamino]benzoic acid

C16H16ClNO3 — CID 43736330

IUPAC2-chloro-5-[(2-methoxy-5-methylphenyl)methylamino]benzoic acid
SMILESCOc1ccc(C)cc1CNc1ccc(Cl)c(C(=O)O)c1
InChIInChI=1S/C16H16ClNO3/c1-10-3-6-15(21-2)11(7-10)9-18-12-4-5-14(17)13(8-12)16(19)20/h3-8,18H,9H2,1-2H3,(H,19,20)
InChIKeyGLZUZZAYSBWNKQ-UHFFFAOYSA-N
MW305.76 g/mol
LogP3.97
Rot. Bonds5

About 2-chloro-5-[(2-methoxy-5-methylphenyl)methylamino]benzoic acid

2-chloro-5-[(2-methoxy-5-methylphenyl)methylamino]benzoic acid (PubChem CID 43736330) has the molecular formula C16H16ClNO3 and a molecular weight of 305.76 g/mol. Its IUPAC name is 2-chloro-5-[(2-methoxy-5-methylphenyl)methylamino]benzoic acid.

Molecular Properties

Compound Name2-chloro-5-[(2-methoxy-5-methylphenyl)methylamino]benzoic acid
PubChem CID43736330
Molecular FormulaC16H16ClNO3
Molecular Weight305.76 g/mol
Exact Mass305.08
IUPAC Name2-chloro-5-[(2-methoxy-5-methylphenyl)methylamino]benzoic acid
SMILESCOc1ccc(C)cc1CNc1ccc(Cl)c(C(=O)O)c1
InChIInChI=1S/C16H16ClNO3/c1-10-3-6-15(21-2)11(7-10)9-18-12-4-5-14(17)13(8-12)16(19)20/h3-8,18H,9H2,1-2H3,(H,19,20)
InChIKeyGLZUZZAYSBWNKQ-UHFFFAOYSA-N
XLogP3.97
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.76
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-chloro-5-[(2-methoxy-5-methylphenyl)methylamino]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-chloro-4-[(2-methoxy-5-methylphenyl)methylamino]phenol
CID 107677911
3-chloro-N-[(2-methoxy-5-methylphenyl)methyl]-4-nitroaniline
CID 82865332
4-[(2-methoxy-5-methylphenyl)methylamino]benzamide
CID 43408573
3-chloro-N-[(2-methoxy-5-methylphenyl)methyl]aniline
CID 43408545
5-[(2-bromo-5-methoxy-4-propan-2-yloxyphenyl)methylamino]-2-chlorobenzoic acid
CID 66542843
5-[[6-bromo-3-methoxy-2-[(4-methylphenyl)methoxy]phenyl]methylamino]-2-chlorobenzoic acid
CID 66543949
3-chloro-N-[(2-chloro-4-methylphenyl)methyl]-4-methoxyaniline
CID 106862038
4-fluoro-N-[(2-methoxy-5-methylphenyl)methyl]aniline
CID 43408473
5-[[3-bromo-5-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methylamino]-2-chlorobenzoic acid
CID 17058510
5-[(2-bromo-5-methoxy-4-phenylmethoxyphenyl)methylamino]-2-chlorobenzoic acid
CID 66544697
2-chloro-5-[(1,2,5-trimethylpyrrol-3-yl)methylamino]benzoic acid
CID 62474405
5-[[2-[2-(tert-butylamino)-2-oxoethoxy]-5-chlorophenyl]methylamino]-2-chlorobenzoic acid
CID 17058507

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[(2-methoxy-5-methylphenyl)methylamino]benzoic acid?
The IUPAC name of 2-chloro-5-[(2-methoxy-5-methylphenyl)methylamino]benzoic acid (CID 43736330) is 2-chloro-5-[(2-methoxy-5-methylphenyl)methylamino]benzoic acid.
What is the SMILES notation for 2-chloro-5-[(2-methoxy-5-methylphenyl)methylamino]benzoic acid?
The canonical SMILES for 2-chloro-5-[(2-methoxy-5-methylphenyl)methylamino]benzoic acid is COc1ccc(C)cc1CNc1ccc(Cl)c(C(=O)O)c1.
What is the InChIKey of 2-chloro-5-[(2-methoxy-5-methylphenyl)methylamino]benzoic acid?
The InChIKey is GLZUZZAYSBWNKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClNO3/c1-10-3-6-15(21-2)11(7-10)9-18-12-4-5-14(17)13(8-12)16(19)20/h3-8,18H,9H2,1-2H3,(H,19,20).
What are the key properties of 2-chloro-5-[(2-methoxy-5-methylphenyl)methylamino]benzoic acid?
2-chloro-5-[(2-methoxy-5-methylphenyl)methylamino]benzoic acid has a molecular weight of 305.76 g/mol, XLogP of 3.97, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[(2-methoxy-5-methylphenyl)methylamino]benzoic acid is sourced from PubChem (CID 43736330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).