3-[[2-[(2-chlorophenyl)methoxy]phenyl]methylamino]-2-methylbenzoic acid

C22H20ClNO3 — CID 17058986

IUPAC3-[[2-[(2-chlorophenyl)methoxy]phenyl]methylamino]-2-methylbenzoic acid
SMILESCc1c(NCc2ccccc2OCc2ccccc2Cl)cccc1C(=O)O
InChIInChI=1S/C22H20ClNO3/c1-15-18(22(25)26)9-6-11-20(15)24-13-16-7-3-5-12-21(16)27-14-17-8-2-4-10-19(17)23/h2-12,24H,13-14H2,1H3,(H,25,26)
InChIKeyWRPYQCAXYJPVRP-UHFFFAOYSA-N
MW381.86 g/mol
LogP5.54
Rot. Bonds7

About 3-[[2-[(2-chlorophenyl)methoxy]phenyl]methylamino]-2-methylbenzoic acid

3-[[2-[(2-chlorophenyl)methoxy]phenyl]methylamino]-2-methylbenzoic acid (PubChem CID 17058986) has the molecular formula C22H20ClNO3 and a molecular weight of 381.86 g/mol. Its IUPAC name is 3-[[2-[(2-chlorophenyl)methoxy]phenyl]methylamino]-2-methylbenzoic acid.

Molecular Properties

Compound Name3-[[2-[(2-chlorophenyl)methoxy]phenyl]methylamino]-2-methylbenzoic acid
PubChem CID17058986
Molecular FormulaC22H20ClNO3
Molecular Weight381.86 g/mol
Exact Mass381.11
IUPAC Name3-[[2-[(2-chlorophenyl)methoxy]phenyl]methylamino]-2-methylbenzoic acid
SMILESCc1c(NCc2ccccc2OCc2ccccc2Cl)cccc1C(=O)O
InChIInChI=1S/C22H20ClNO3/c1-15-18(22(25)26)9-6-11-20(15)24-13-16-7-3-5-12-21(16)27-14-17-8-2-4-10-19(17)23/h2-12,24H,13-14H2,1H3,(H,25,26)
InChIKeyWRPYQCAXYJPVRP-UHFFFAOYSA-N
XLogP5.54
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.86
LogP ≤ 55.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-[[2-[(2-chlorophenyl)methoxy]phenyl]methylamino]-2-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

3-[[2-[(2-fluorophenyl)methoxy]phenyl]methylamino]-2-methylbenzoic acid
CID 17059181
3-[[2-bromo-4-[(2-chloro-4-fluorophenyl)methoxy]-5-methoxyphenyl]methylamino]-2-methylbenzoic acid
CID 66543009
3-[(3-ethoxy-2-phenylmethoxyphenyl)methylamino]-2-methylbenzoic acid
CID 17059903
3-[(2-ethoxy-3-methoxyphenyl)methylamino]-2-methylbenzoic acid
CID 17059594
2-[(3-chloro-2-hydroxyphenyl)methylamino]benzoic acid
CID 112606376
methyl 3-[(3-chloro-2-hydroxyphenyl)methylamino]-2-methylbenzoate
CID 115951267
5-chloro-N-[[2-[(2-chlorophenyl)methoxy]phenyl]methyl]-2-methylaniline
CID 126118257
N-[[2-[(4-bromophenyl)methoxy]phenyl]methyl]-3-chloro-2-methylaniline
CID 126127109
3-[(3-chloro-2-hydroxyphenyl)methylamino]-2-methylbenzamide
CID 115904226
3-[[2-(2-amino-2-oxoethoxy)-3,5-dichlorophenyl]methylamino]-2-methylbenzoic acid
CID 17058253
3-[[5-bromo-2-[(4-methylphenyl)methoxy]phenyl]methylamino]-2-methylbenzoic acid
CID 17058270
2-[(2-chlorophenyl)methoxy]-6-methoxybenzoic acid
CID 170873582

Frequently Asked Questions

What is the IUPAC name of 3-[[2-[(2-chlorophenyl)methoxy]phenyl]methylamino]-2-methylbenzoic acid?
The IUPAC name of 3-[[2-[(2-chlorophenyl)methoxy]phenyl]methylamino]-2-methylbenzoic acid (CID 17058986) is 3-[[2-[(2-chlorophenyl)methoxy]phenyl]methylamino]-2-methylbenzoic acid.
What is the SMILES notation for 3-[[2-[(2-chlorophenyl)methoxy]phenyl]methylamino]-2-methylbenzoic acid?
The canonical SMILES for 3-[[2-[(2-chlorophenyl)methoxy]phenyl]methylamino]-2-methylbenzoic acid is Cc1c(NCc2ccccc2OCc2ccccc2Cl)cccc1C(=O)O.
What is the InChIKey of 3-[[2-[(2-chlorophenyl)methoxy]phenyl]methylamino]-2-methylbenzoic acid?
The InChIKey is WRPYQCAXYJPVRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20ClNO3/c1-15-18(22(25)26)9-6-11-20(15)24-13-16-7-3-5-12-21(16)27-14-17-8-2-4-10-19(17)23/h2-12,24H,13-14H2,1H3,(H,25,26).
What are the key properties of 3-[[2-[(2-chlorophenyl)methoxy]phenyl]methylamino]-2-methylbenzoic acid?
3-[[2-[(2-chlorophenyl)methoxy]phenyl]methylamino]-2-methylbenzoic acid has a molecular weight of 381.86 g/mol, XLogP of 5.54, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-[(2-chlorophenyl)methoxy]phenyl]methylamino]-2-methylbenzoic acid is sourced from PubChem (CID 17058986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).