3-[[(2-morpholin-4-ylphenyl)methylamino]methyl]benzoic acid

C19H22N2O3 — CID 120509971

IUPAC3-[[(2-morpholin-4-ylphenyl)methylamino]methyl]benzoic acid
SMILESO=C(O)c1cccc(CNCc2ccccc2N2CCOCC2)c1
InChIInChI=1S/C19H22N2O3/c22-19(23)16-6-3-4-15(12-16)13-20-14-17-5-1-2-7-18(17)21-8-10-24-11-9-21/h1-7,12,20H,8-11,13-14H2,(H,22,23)
InChIKeyUNSKVEAOBZVTBG-UHFFFAOYSA-N
MW326.40 g/mol
LogP2.51
Rot. Bonds6

About 3-[[(2-morpholin-4-ylphenyl)methylamino]methyl]benzoic acid

3-[[(2-morpholin-4-ylphenyl)methylamino]methyl]benzoic acid (PubChem CID 120509971) has the molecular formula C19H22N2O3 and a molecular weight of 326.40 g/mol. Its IUPAC name is 3-[[(2-morpholin-4-ylphenyl)methylamino]methyl]benzoic acid.

Molecular Properties

Compound Name3-[[(2-morpholin-4-ylphenyl)methylamino]methyl]benzoic acid
PubChem CID120509971
Molecular FormulaC19H22N2O3
Molecular Weight326.40 g/mol
Exact Mass326.16
IUPAC Name3-[[(2-morpholin-4-ylphenyl)methylamino]methyl]benzoic acid
SMILESO=C(O)c1cccc(CNCc2ccccc2N2CCOCC2)c1
InChIInChI=1S/C19H22N2O3/c22-19(23)16-6-3-4-15(12-16)13-20-14-17-5-1-2-7-18(17)21-8-10-24-11-9-21/h1-7,12,20H,8-11,13-14H2,(H,22,23)
InChIKeyUNSKVEAOBZVTBG-UHFFFAOYSA-N
XLogP2.51
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(morpholin-4-ylamino)methyl]benzoic acid
CID 103261048
3-[(3,4-dihydro-2H-1,5-benzodioxepin-6-ylmethylamino)methyl]benzoic acid
CID 120509959
2,2,2-trifluoro-N-[(2-morpholin-4-ylphenyl)methyl]acetamide
CID 110443194
4-[[(2-chloro-6-morpholin-4-ylphenyl)methylamino]methyl]benzoic acid
CID 122036032
2-methyl-N-[(2-morpholin-4-ylphenyl)methyl]propanamide
CID 47400471
3-[[2-(oxan-4-yl)ethylamino]methyl]benzoic acid
CID 115221817
N,N-dimethyl-3-[(2-morpholin-4-ylphenyl)methylamino]propanamide
CID 71933821
1-(3-chlorophenyl)-N-[(2-pyrrolidin-1-ylphenyl)methyl]methanamine
CID 60657557
3,3-dimethyl-1-[(2-morpholin-4-ylphenyl)methylamino]butan-2-ol
CID 111119117
2-[(3-methylphenyl)methylamino]-N-(2-morpholin-4-ylphenyl)acetamide
CID 108996829
3-[[[4-(aminomethyl)phenyl]methylamino]methyl]benzoic acid
CID 168845585
3-[[3-(morpholine-4-carbonyl)anilino]methyl]benzoic acid
CID 122029654

Frequently Asked Questions

What is the IUPAC name of 3-[[(2-morpholin-4-ylphenyl)methylamino]methyl]benzoic acid?
The IUPAC name of 3-[[(2-morpholin-4-ylphenyl)methylamino]methyl]benzoic acid (CID 120509971) is 3-[[(2-morpholin-4-ylphenyl)methylamino]methyl]benzoic acid.
What is the SMILES notation for 3-[[(2-morpholin-4-ylphenyl)methylamino]methyl]benzoic acid?
The canonical SMILES for 3-[[(2-morpholin-4-ylphenyl)methylamino]methyl]benzoic acid is O=C(O)c1cccc(CNCc2ccccc2N2CCOCC2)c1.
What is the InChIKey of 3-[[(2-morpholin-4-ylphenyl)methylamino]methyl]benzoic acid?
The InChIKey is UNSKVEAOBZVTBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3/c22-19(23)16-6-3-4-15(12-16)13-20-14-17-5-1-2-7-18(17)21-8-10-24-11-9-21/h1-7,12,20H,8-11,13-14H2,(H,22,23).
What are the key properties of 3-[[(2-morpholin-4-ylphenyl)methylamino]methyl]benzoic acid?
3-[[(2-morpholin-4-ylphenyl)methylamino]methyl]benzoic acid has a molecular weight of 326.40 g/mol, XLogP of 2.51, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2-morpholin-4-ylphenyl)methylamino]methyl]benzoic acid is sourced from PubChem (CID 120509971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).