2-methyl-4-(2-morpholin-4-ylethylamino)benzoic acid

C14H20N2O3 — CID 81282507

IUPAC2-methyl-4-(2-morpholin-4-ylethylamino)benzoic acid
SMILESCc1cc(NCCN2CCOCC2)ccc1C(=O)O
InChIInChI=1S/C14H20N2O3/c1-11-10-12(2-3-13(11)14(17)18)15-4-5-16-6-8-19-9-7-16/h2-3,10,15H,4-9H2,1H3,(H,17,18)
InChIKeyLWYGOGQTYRDWCY-UHFFFAOYSA-N
MW264.32 g/mol
LogP1.44
Rot. Bonds5

About 2-methyl-4-(2-morpholin-4-ylethylamino)benzoic acid

2-methyl-4-(2-morpholin-4-ylethylamino)benzoic acid (PubChem CID 81282507) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is 2-methyl-4-(2-morpholin-4-ylethylamino)benzoic acid.

Molecular Properties

Compound Name2-methyl-4-(2-morpholin-4-ylethylamino)benzoic acid
PubChem CID81282507
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name2-methyl-4-(2-morpholin-4-ylethylamino)benzoic acid
SMILESCc1cc(NCCN2CCOCC2)ccc1C(=O)O
InChIInChI=1S/C14H20N2O3/c1-11-10-12(2-3-13(11)14(17)18)15-4-5-16-6-8-19-9-7-16/h2-3,10,15H,4-9H2,1H3,(H,17,18)
InChIKeyLWYGOGQTYRDWCY-UHFFFAOYSA-N
XLogP1.44
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-4-(2-pyrrolidin-1-ylethylamino)benzoic acid
CID 81282265
3-chloro-4-methyl-N-(2-morpholin-4-ylethyl)aniline
CID 28568493
3-fluoro-4-methyl-N-(2-morpholin-4-ylethyl)aniline
CID 28583324
3-bromo-4-methyl-N-(2-morpholin-4-ylethyl)aniline
CID 39420305
2-bromo-3-fluoro-4-(2-morpholin-4-ylethylamino)benzoic acid
CID 107539944
2-methyl-5-(2-morpholin-4-ylethyl)benzoic acid
CID 70846219
1-[5-(2-morpholin-4-ylethylamino)-1-benzothiophen-2-yl]ethanone
CID 143391189
2-(2-methylphenyl)-N-[5-(2-morpholin-4-ylethylamino)-2-pyridinyl]acetamide
CID 113025661
3-(4-methylanilino)-N-(2-morpholin-4-ylethyl)propanamide
CID 109016587
3-methyl-2-(3-morpholin-4-ylpropylamino)benzoic acid
CID 107111875
(2S)-2-amino-3-[4-(2-morpholin-4-ylethylamino)phenyl]propanoic acid
CID 130323279
2-ethyl-N-[4-(2-morpholin-4-ylethylamino)phenyl]butanamide
CID 112981413

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(2-morpholin-4-ylethylamino)benzoic acid?
The IUPAC name of 2-methyl-4-(2-morpholin-4-ylethylamino)benzoic acid (CID 81282507) is 2-methyl-4-(2-morpholin-4-ylethylamino)benzoic acid.
What is the SMILES notation for 2-methyl-4-(2-morpholin-4-ylethylamino)benzoic acid?
The canonical SMILES for 2-methyl-4-(2-morpholin-4-ylethylamino)benzoic acid is Cc1cc(NCCN2CCOCC2)ccc1C(=O)O.
What is the InChIKey of 2-methyl-4-(2-morpholin-4-ylethylamino)benzoic acid?
The InChIKey is LWYGOGQTYRDWCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-11-10-12(2-3-13(11)14(17)18)15-4-5-16-6-8-19-9-7-16/h2-3,10,15H,4-9H2,1H3,(H,17,18).
What are the key properties of 2-methyl-4-(2-morpholin-4-ylethylamino)benzoic acid?
2-methyl-4-(2-morpholin-4-ylethylamino)benzoic acid has a molecular weight of 264.32 g/mol, XLogP of 1.44, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(2-morpholin-4-ylethylamino)benzoic acid is sourced from PubChem (CID 81282507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).