2-chloro-6-[(4-methylmorpholin-2-yl)methylamino]benzoic acid

C13H17ClN2O3 — CID 79072368

IUPAC2-chloro-6-[(4-methylmorpholin-2-yl)methylamino]benzoic acid
SMILESCN1CCOC(CNc2cccc(Cl)c2C(=O)O)C1
InChIInChI=1S/C13H17ClN2O3/c1-16-5-6-19-9(8-16)7-15-11-4-2-3-10(14)12(11)13(17)18/h2-4,9,15H,5-8H2,1H3,(H,17,18)
InChIKeyVWMUNBHELVIZQC-UHFFFAOYSA-N
MW284.74 g/mol
LogP1.78
Rot. Bonds4

About 2-chloro-6-[(4-methylmorpholin-2-yl)methylamino]benzoic acid

2-chloro-6-[(4-methylmorpholin-2-yl)methylamino]benzoic acid (PubChem CID 79072368) has the molecular formula C13H17ClN2O3 and a molecular weight of 284.74 g/mol. Its IUPAC name is 2-chloro-6-[(4-methylmorpholin-2-yl)methylamino]benzoic acid.

Molecular Properties

Compound Name2-chloro-6-[(4-methylmorpholin-2-yl)methylamino]benzoic acid
PubChem CID79072368
Molecular FormulaC13H17ClN2O3
Molecular Weight284.74 g/mol
Exact Mass284.09
IUPAC Name2-chloro-6-[(4-methylmorpholin-2-yl)methylamino]benzoic acid
SMILESCN1CCOC(CNc2cccc(Cl)c2C(=O)O)C1
InChIInChI=1S/C13H17ClN2O3/c1-16-5-6-19-9(8-16)7-15-11-4-2-3-10(14)12(11)13(17)18/h2-4,9,15H,5-8H2,1H3,(H,17,18)
InChIKeyVWMUNBHELVIZQC-UHFFFAOYSA-N
XLogP1.78
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.74
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-6-[(4-methylmorpholin-2-yl)methylamino]benzenecarbothioamide
CID 79071213
2-chloro-6-fluoro-N-[(4-methylmorpholin-2-yl)methyl]benzamide
CID 49094194
N-(2,6-dichlorophenyl)-2-[(4-methylmorpholin-2-yl)methylamino]acetamide
CID 78960893
2-chloro-6-(cyclopentylmethylamino)benzoic acid
CID 62710285
2-(2-chlorophenyl)-N-[(4-methylmorpholin-2-yl)methyl]acetamide
CID 49093905
2-ethoxy-N-[(4-methylmorpholin-2-yl)methyl]aniline
CID 79172087
2-[(4-methylmorpholin-2-yl)methylamino]benzonitrile
CID 78916182
2-(difluoromethoxy)-N-[(4-methylmorpholin-2-yl)methyl]aniline
CID 79172188
5-chloro-6-[(4-methylmorpholin-2-yl)methylamino]pyridine-3-carboxylic acid
CID 79071332
2-chloro-N-[[(2R)-4-methylmorpholin-2-yl]methyl]-4-nitroaniline
CID 94825699
5-chloro-2,4-dimethoxy-N-[(4-methylmorpholin-2-yl)methyl]aniline
CID 79172466
5-[(4-methylmorpholin-2-yl)methylamino]pyridine-2-carboxylic acid
CID 115490999

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-[(4-methylmorpholin-2-yl)methylamino]benzoic acid?
The IUPAC name of 2-chloro-6-[(4-methylmorpholin-2-yl)methylamino]benzoic acid (CID 79072368) is 2-chloro-6-[(4-methylmorpholin-2-yl)methylamino]benzoic acid.
What is the SMILES notation for 2-chloro-6-[(4-methylmorpholin-2-yl)methylamino]benzoic acid?
The canonical SMILES for 2-chloro-6-[(4-methylmorpholin-2-yl)methylamino]benzoic acid is CN1CCOC(CNc2cccc(Cl)c2C(=O)O)C1.
What is the InChIKey of 2-chloro-6-[(4-methylmorpholin-2-yl)methylamino]benzoic acid?
The InChIKey is VWMUNBHELVIZQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O3/c1-16-5-6-19-9(8-16)7-15-11-4-2-3-10(14)12(11)13(17)18/h2-4,9,15H,5-8H2,1H3,(H,17,18).
What are the key properties of 2-chloro-6-[(4-methylmorpholin-2-yl)methylamino]benzoic acid?
2-chloro-6-[(4-methylmorpholin-2-yl)methylamino]benzoic acid has a molecular weight of 284.74 g/mol, XLogP of 1.78, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-[(4-methylmorpholin-2-yl)methylamino]benzoic acid is sourced from PubChem (CID 79072368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).