4-[[[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]amino]methyl]benzoic acid

C20H23ClN2O3 — CID 122030156

IUPAC4-[[[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]amino]methyl]benzoic acid
SMILESO=C(O)c1ccc(CNCC(c2ccccc2Cl)N2CCOCC2)cc1
InChIInChI=1S/C20H23ClN2O3/c21-18-4-2-1-3-17(18)19(23-9-11-26-12-10-23)14-22-13-15-5-7-16(8-6-15)20(24)25/h1-8,19,22H,9-14H2,(H,24,25)
InChIKeyKIOWHZNLWJMMQJ-UHFFFAOYSA-N
MW374.87 g/mol
LogP3.20
Rot. Bonds7

About 4-[[[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]amino]methyl]benzoic acid

4-[[[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]amino]methyl]benzoic acid (PubChem CID 122030156) has the molecular formula C20H23ClN2O3 and a molecular weight of 374.87 g/mol. Its IUPAC name is 4-[[[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]amino]methyl]benzoic acid.

Molecular Properties

Compound Name4-[[[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]amino]methyl]benzoic acid
PubChem CID122030156
Molecular FormulaC20H23ClN2O3
Molecular Weight374.87 g/mol
Exact Mass374.14
IUPAC Name4-[[[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]amino]methyl]benzoic acid
SMILESO=C(O)c1ccc(CNCC(c2ccccc2Cl)N2CCOCC2)cc1
InChIInChI=1S/C20H23ClN2O3/c21-18-4-2-1-3-17(18)19(23-9-11-26-12-10-23)14-22-13-15-5-7-16(8-6-15)20(24)25/h1-8,19,22H,9-14H2,(H,24,25)
InChIKeyKIOWHZNLWJMMQJ-UHFFFAOYSA-N
XLogP3.20
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.87
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[[[(2S)-2-(2-chlorophenyl)-2-morpholin-4-ylethyl]amino]methyl]phenoxy]acetamide
CID 34536248
N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-2-methylpropan-1-amine
CID 83380866
N-[(2S)-2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-2,2-dimethylpropanamide
CID 37054001
3-(2-chlorophenyl)-3-morpholin-4-ylpropanoic acid
CID 64526362
N-[(2R)-2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-3-phenylpropanamide
CID 37050457
2-(2-chlorophenyl)-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-morpholin-4-ylethanamine
CID 78903826
4-[[[2-(2-chloro-6-fluorophenyl)-2-pyrrolidin-1-ylethyl]amino]methyl]benzoic acid
CID 122030279
2-amino-N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]acetamide;dihydrochloride
CID 119849627
N-[(2R)-2-(2-chlorophenyl)-2-morpholin-4-ylethyl]pyridine-4-carboxamide
CID 37050347
N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-4-pyrrol-1-ylbenzamide
CID 55609911
(E)-N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-3-phenylbut-2-enamide
CID 134028185
2-amino-N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-2-phenylpropanamide
CID 120595396

Frequently Asked Questions

What is the IUPAC name of 4-[[[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]amino]methyl]benzoic acid?
The IUPAC name of 4-[[[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]amino]methyl]benzoic acid (CID 122030156) is 4-[[[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]amino]methyl]benzoic acid.
What is the SMILES notation for 4-[[[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]amino]methyl]benzoic acid?
The canonical SMILES for 4-[[[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]amino]methyl]benzoic acid is O=C(O)c1ccc(CNCC(c2ccccc2Cl)N2CCOCC2)cc1.
What is the InChIKey of 4-[[[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]amino]methyl]benzoic acid?
The InChIKey is KIOWHZNLWJMMQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN2O3/c21-18-4-2-1-3-17(18)19(23-9-11-26-12-10-23)14-22-13-15-5-7-16(8-6-15)20(24)25/h1-8,19,22H,9-14H2,(H,24,25).
What are the key properties of 4-[[[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]amino]methyl]benzoic acid?
4-[[[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]amino]methyl]benzoic acid has a molecular weight of 374.87 g/mol, XLogP of 3.20, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]amino]methyl]benzoic acid is sourced from PubChem (CID 122030156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).