3-[[methyl(2-phenylethyl)amino]methyl]benzoic acid

C17H19NO2 — CID 65486667

IUPAC3-[[methyl(2-phenylethyl)amino]methyl]benzoic acid
SMILESCN(CCc1ccccc1)Cc1cccc(C(=O)O)c1
InChIInChI=1S/C17H19NO2/c1-18(11-10-14-6-3-2-4-7-14)13-15-8-5-9-16(12-15)17(19)20/h2-9,12H,10-11,13H2,1H3,(H,19,20)
InChIKeyXBYYFVVHGNOILU-UHFFFAOYSA-N
MW269.34 g/mol
LogP3.06
Rot. Bonds6

About 3-[[methyl(2-phenylethyl)amino]methyl]benzoic acid

3-[[methyl(2-phenylethyl)amino]methyl]benzoic acid (PubChem CID 65486667) has the molecular formula C17H19NO2 and a molecular weight of 269.34 g/mol. Its IUPAC name is 3-[[methyl(2-phenylethyl)amino]methyl]benzoic acid.

Molecular Properties

Compound Name3-[[methyl(2-phenylethyl)amino]methyl]benzoic acid
PubChem CID65486667
Molecular FormulaC17H19NO2
Molecular Weight269.34 g/mol
Exact Mass269.14
IUPAC Name3-[[methyl(2-phenylethyl)amino]methyl]benzoic acid
SMILESCN(CCc1ccccc1)Cc1cccc(C(=O)O)c1
InChIInChI=1S/C17H19NO2/c1-18(11-10-14-6-3-2-4-7-14)13-15-8-5-9-16(12-15)17(19)20/h2-9,12H,10-11,13H2,1H3,(H,19,20)
InChIKeyXBYYFVVHGNOILU-UHFFFAOYSA-N
XLogP3.06
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[[methyl(propyl)amino]methyl]benzoic acid
CID 43271448
3-[[2-(dimethylamino)ethyl-methylamino]methyl]benzoic acid
CID 63695430
3-[methyl(2-phenylethyl)carbamoyl]benzoic acid
CID 65487165
3-[[methyl(prop-2-ynyl)amino]methyl]benzoic acid
CID 167716180
3-[2-[acetyl(methyl)amino]ethyl]benzoic acid
CID 167729941
3-[[methyl(pyridin-2-ylmethyl)amino]methyl]benzoic acid
CID 43565174
3-[2-[acetyl(dimethylamino)amino]ethyl]benzoic acid
CID 174465820
3-[[(3-cyanophenyl)methyl-methylamino]methyl]benzoic acid
CID 62970028
3-[[hept-6-enyl(methyl)amino]methyl]benzoic acid
CID 122029140
3-[[benzyl(ethyl)amino]methyl]benzoic acid
CID 22685949
2-[[methyl(2-phenylethyl)amino]methyl]benzoic acid
CID 65486668
3-[[methyl(3-phenylpropyl)amino]methyl]benzenecarbothioamide
CID 62967219

Frequently Asked Questions

What is the IUPAC name of 3-[[methyl(2-phenylethyl)amino]methyl]benzoic acid?
The IUPAC name of 3-[[methyl(2-phenylethyl)amino]methyl]benzoic acid (CID 65486667) is 3-[[methyl(2-phenylethyl)amino]methyl]benzoic acid.
What is the SMILES notation for 3-[[methyl(2-phenylethyl)amino]methyl]benzoic acid?
The canonical SMILES for 3-[[methyl(2-phenylethyl)amino]methyl]benzoic acid is CN(CCc1ccccc1)Cc1cccc(C(=O)O)c1.
What is the InChIKey of 3-[[methyl(2-phenylethyl)amino]methyl]benzoic acid?
The InChIKey is XBYYFVVHGNOILU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO2/c1-18(11-10-14-6-3-2-4-7-14)13-15-8-5-9-16(12-15)17(19)20/h2-9,12H,10-11,13H2,1H3,(H,19,20).
What are the key properties of 3-[[methyl(2-phenylethyl)amino]methyl]benzoic acid?
3-[[methyl(2-phenylethyl)amino]methyl]benzoic acid has a molecular weight of 269.34 g/mol, XLogP of 3.06, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[methyl(2-phenylethyl)amino]methyl]benzoic acid is sourced from PubChem (CID 65486667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).