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

C14H19ClN2O3 — CID 114401232

IUPAC4-chloro-2-[(4-ethylmorpholin-2-yl)methylamino]benzoic acid
SMILESCCN1CCOC(CNc2cc(Cl)ccc2C(=O)O)C1
InChIInChI=1S/C14H19ClN2O3/c1-2-17-5-6-20-11(9-17)8-16-13-7-10(15)3-4-12(13)14(18)19/h3-4,7,11,16H,2,5-6,8-9H2,1H3,(H,18,19)
InChIKeyOZETVQNRZIZVKD-UHFFFAOYSA-N
MW298.77 g/mol
LogP2.17
Rot. Bonds5

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

4-chloro-2-[(4-ethylmorpholin-2-yl)methylamino]benzoic acid (PubChem CID 114401232) has the molecular formula C14H19ClN2O3 and a molecular weight of 298.77 g/mol. Its IUPAC name is 4-chloro-2-[(4-ethylmorpholin-2-yl)methylamino]benzoic acid.

Molecular Properties

Compound Name4-chloro-2-[(4-ethylmorpholin-2-yl)methylamino]benzoic acid
PubChem CID114401232
Molecular FormulaC14H19ClN2O3
Molecular Weight298.77 g/mol
Exact Mass298.11
IUPAC Name4-chloro-2-[(4-ethylmorpholin-2-yl)methylamino]benzoic acid
SMILESCCN1CCOC(CNc2cc(Cl)ccc2C(=O)O)C1
InChIInChI=1S/C14H19ClN2O3/c1-2-17-5-6-20-11(9-17)8-16-13-7-10(15)3-4-12(13)14(18)19/h3-4,7,11,16H,2,5-6,8-9H2,1H3,(H,18,19)
InChIKeyOZETVQNRZIZVKD-UHFFFAOYSA-N
XLogP2.17
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.77
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[(4-ethylmorpholin-2-yl)methylamino]benzoic acid?
The IUPAC name of 4-chloro-2-[(4-ethylmorpholin-2-yl)methylamino]benzoic acid (CID 114401232) is 4-chloro-2-[(4-ethylmorpholin-2-yl)methylamino]benzoic acid.
What is the SMILES notation for 4-chloro-2-[(4-ethylmorpholin-2-yl)methylamino]benzoic acid?
The canonical SMILES for 4-chloro-2-[(4-ethylmorpholin-2-yl)methylamino]benzoic acid is CCN1CCOC(CNc2cc(Cl)ccc2C(=O)O)C1.
What is the InChIKey of 4-chloro-2-[(4-ethylmorpholin-2-yl)methylamino]benzoic acid?
The InChIKey is OZETVQNRZIZVKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O3/c1-2-17-5-6-20-11(9-17)8-16-13-7-10(15)3-4-12(13)14(18)19/h3-4,7,11,16H,2,5-6,8-9H2,1H3,(H,18,19).
What are the key properties of 4-chloro-2-[(4-ethylmorpholin-2-yl)methylamino]benzoic acid?
4-chloro-2-[(4-ethylmorpholin-2-yl)methylamino]benzoic acid has a molecular weight of 298.77 g/mol, XLogP of 2.17, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[(4-ethylmorpholin-2-yl)methylamino]benzoic acid is sourced from PubChem (CID 114401232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).