2-[(4-ethylmorpholin-2-yl)methylamino]-4-methylbenzoic acid

C15H22N2O3 — CID 114400372

IUPAC2-[(4-ethylmorpholin-2-yl)methylamino]-4-methylbenzoic acid
SMILESCCN1CCOC(CNc2cc(C)ccc2C(=O)O)C1
InChIInChI=1S/C15H22N2O3/c1-3-17-6-7-20-12(10-17)9-16-14-8-11(2)4-5-13(14)15(18)19/h4-5,8,12,16H,3,6-7,9-10H2,1-2H3,(H,18,19)
InChIKeyQFRTZVAYZUDRNK-UHFFFAOYSA-N
MW278.35 g/mol
LogP1.83
Rot. Bonds5

About 2-[(4-ethylmorpholin-2-yl)methylamino]-4-methylbenzoic acid

2-[(4-ethylmorpholin-2-yl)methylamino]-4-methylbenzoic acid (PubChem CID 114400372) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is 2-[(4-ethylmorpholin-2-yl)methylamino]-4-methylbenzoic acid.

Molecular Properties

Compound Name2-[(4-ethylmorpholin-2-yl)methylamino]-4-methylbenzoic acid
PubChem CID114400372
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name2-[(4-ethylmorpholin-2-yl)methylamino]-4-methylbenzoic acid
SMILESCCN1CCOC(CNc2cc(C)ccc2C(=O)O)C1
InChIInChI=1S/C15H22N2O3/c1-3-17-6-7-20-12(10-17)9-16-14-8-11(2)4-5-13(14)15(18)19/h4-5,8,12,16H,3,6-7,9-10H2,1-2H3,(H,18,19)
InChIKeyQFRTZVAYZUDRNK-UHFFFAOYSA-N
XLogP1.83
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-2-[(4-ethylmorpholin-2-yl)methylamino]benzoic acid
CID 114401232
4-methyl-2-[(4-methylmorpholin-2-yl)methylamino]benzenecarbothioamide
CID 79071627
5-bromo-2-[(4-ethylmorpholin-2-yl)methylamino]pyridine-3-carboxylic acid
CID 114400346
methyl 3-amino-4-[(4-ethylmorpholin-2-yl)methylamino]benzoate
CID 114401093
4-methyl-2-[(1-methylpyrrolidin-3-yl)methylamino]benzoic acid
CID 62710632
4-[(4-ethylmorpholin-2-yl)methylamino]benzamide
CID 79166709
N-[(4-ethylmorpholin-2-yl)methyl]-3-fluoro-2-methylaniline
CID 79166538
2-chloro-N-[(4-ethylmorpholin-2-yl)methyl]-4-fluoroaniline
CID 79164853
2-[1-[(4-ethylmorpholin-2-yl)methylamino]ethyl]-5-methylphenol
CID 104583926
2-[(4-ethylmorpholin-2-yl)methylamino]pyridine-3-carboxamide
CID 115619041
1-[2-(4-ethylmorpholin-2-yl)ethyl]-3-(2-methoxy-5-methylphenyl)urea
CID 56754509
5-methyl-2-(oxan-2-ylmethylamino)benzoic acid
CID 62516569

Frequently Asked Questions

What is the IUPAC name of 2-[(4-ethylmorpholin-2-yl)methylamino]-4-methylbenzoic acid?
The IUPAC name of 2-[(4-ethylmorpholin-2-yl)methylamino]-4-methylbenzoic acid (CID 114400372) is 2-[(4-ethylmorpholin-2-yl)methylamino]-4-methylbenzoic acid.
What is the SMILES notation for 2-[(4-ethylmorpholin-2-yl)methylamino]-4-methylbenzoic acid?
The canonical SMILES for 2-[(4-ethylmorpholin-2-yl)methylamino]-4-methylbenzoic acid is CCN1CCOC(CNc2cc(C)ccc2C(=O)O)C1.
What is the InChIKey of 2-[(4-ethylmorpholin-2-yl)methylamino]-4-methylbenzoic acid?
The InChIKey is QFRTZVAYZUDRNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-3-17-6-7-20-12(10-17)9-16-14-8-11(2)4-5-13(14)15(18)19/h4-5,8,12,16H,3,6-7,9-10H2,1-2H3,(H,18,19).
What are the key properties of 2-[(4-ethylmorpholin-2-yl)methylamino]-4-methylbenzoic acid?
2-[(4-ethylmorpholin-2-yl)methylamino]-4-methylbenzoic acid has a molecular weight of 278.35 g/mol, XLogP of 1.83, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-ethylmorpholin-2-yl)methylamino]-4-methylbenzoic acid is sourced from PubChem (CID 114400372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).