2-amino-4-[(2-chloro-6-methoxyphenyl)methylamino]benzoic acid

C15H15ClN2O3 — CID 103293324

IUPAC2-amino-4-[(2-chloro-6-methoxyphenyl)methylamino]benzoic acid
SMILESCOc1cccc(Cl)c1CNc1ccc(C(=O)O)c(N)c1
InChIInChI=1S/C15H15ClN2O3/c1-21-14-4-2-3-12(16)11(14)8-18-9-5-6-10(15(19)20)13(17)7-9/h2-7,18H,8,17H2,1H3,(H,19,20)
InChIKeyZXFMQIHIURUOAU-UHFFFAOYSA-N
MW306.75 g/mol
LogP3.24
Rot. Bonds5

About 2-amino-4-[(2-chloro-6-methoxyphenyl)methylamino]benzoic acid

2-amino-4-[(2-chloro-6-methoxyphenyl)methylamino]benzoic acid (PubChem CID 103293324) has the molecular formula C15H15ClN2O3 and a molecular weight of 306.75 g/mol. Its IUPAC name is 2-amino-4-[(2-chloro-6-methoxyphenyl)methylamino]benzoic acid.

Molecular Properties

Compound Name2-amino-4-[(2-chloro-6-methoxyphenyl)methylamino]benzoic acid
PubChem CID103293324
Molecular FormulaC15H15ClN2O3
Molecular Weight306.75 g/mol
Exact Mass306.08
IUPAC Name2-amino-4-[(2-chloro-6-methoxyphenyl)methylamino]benzoic acid
SMILESCOc1cccc(Cl)c1CNc1ccc(C(=O)O)c(N)c1
InChIInChI=1S/C15H15ClN2O3/c1-21-14-4-2-3-12(16)11(14)8-18-9-5-6-10(15(19)20)13(17)7-9/h2-7,18H,8,17H2,1H3,(H,19,20)
InChIKeyZXFMQIHIURUOAU-UHFFFAOYSA-N
XLogP3.24
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.75
LogP ≤ 53.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

methyl 3-[(2-chloro-6-methoxyphenyl)methylamino]benzoate
CID 115884786
6-chloro-2-[(2-chloro-6-methoxyphenyl)methylamino]pyridine-3-carboxylic acid
CID 103292726
5-[(2-chloro-6-methoxyphenyl)methylamino]-2-methylphenol
CID 107700839
4-[(2-chloro-6-methoxyphenyl)methylamino]-2-fluorophenol
CID 104816016
N-[(2-chloro-6-methoxyphenyl)methyl]-4-iodoaniline
CID 104815730
2-amino-4-(benzylamino)benzoic acid
CID 104500082
5-[(2-chloro-6-methoxyphenyl)methylamino]pyridine-2-carbothioamide
CID 103292610
N-[(2-chloro-6-methoxyphenyl)methyl]-4-ethylsulfonylaniline
CID 133475336
2-N-[(2-chloro-6-methoxyphenyl)methyl]-4-methoxybenzene-1,2-diamine
CID 103291752
methyl N-[(2-chloro-6-methoxyphenyl)methyl]carbamate
CID 103292136
5-[(2-chloro-6-methoxyphenyl)methylamino]-1-methylpyridin-2-one
CID 104815922
1-N-[(2-chloro-6-methoxyphenyl)methyl]-4-fluoro-5-methoxybenzene-1,2-diamine
CID 103291747

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-[(2-chloro-6-methoxyphenyl)methylamino]benzoic acid?
The IUPAC name of 2-amino-4-[(2-chloro-6-methoxyphenyl)methylamino]benzoic acid (CID 103293324) is 2-amino-4-[(2-chloro-6-methoxyphenyl)methylamino]benzoic acid.
What is the SMILES notation for 2-amino-4-[(2-chloro-6-methoxyphenyl)methylamino]benzoic acid?
The canonical SMILES for 2-amino-4-[(2-chloro-6-methoxyphenyl)methylamino]benzoic acid is COc1cccc(Cl)c1CNc1ccc(C(=O)O)c(N)c1.
What is the InChIKey of 2-amino-4-[(2-chloro-6-methoxyphenyl)methylamino]benzoic acid?
The InChIKey is ZXFMQIHIURUOAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O3/c1-21-14-4-2-3-12(16)11(14)8-18-9-5-6-10(15(19)20)13(17)7-9/h2-7,18H,8,17H2,1H3,(H,19,20).
What are the key properties of 2-amino-4-[(2-chloro-6-methoxyphenyl)methylamino]benzoic acid?
2-amino-4-[(2-chloro-6-methoxyphenyl)methylamino]benzoic acid has a molecular weight of 306.75 g/mol, XLogP of 3.24, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-[(2-chloro-6-methoxyphenyl)methylamino]benzoic acid is sourced from PubChem (CID 103293324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).