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

C17H19NO2 — CID 65486668

IUPAC2-[[methyl(2-phenylethyl)amino]methyl]benzoic acid
SMILESCN(CCc1ccccc1)Cc1ccccc1C(=O)O
InChIInChI=1S/C17H19NO2/c1-18(12-11-14-7-3-2-4-8-14)13-15-9-5-6-10-16(15)17(19)20/h2-10H,11-13H2,1H3,(H,19,20)
InChIKeyKUUIDAOMLVDNAQ-UHFFFAOYSA-N
MW269.34 g/mol
LogP3.06
Rot. Bonds6

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

2-[[methyl(2-phenylethyl)amino]methyl]benzoic acid (PubChem CID 65486668) has the molecular formula C17H19NO2 and a molecular weight of 269.34 g/mol. Its IUPAC name is 2-[[methyl(2-phenylethyl)amino]methyl]benzoic acid.

Molecular Properties

Compound Name2-[[methyl(2-phenylethyl)amino]methyl]benzoic acid
PubChem CID65486668
Molecular FormulaC17H19NO2
Molecular Weight269.34 g/mol
Exact Mass269.14
IUPAC Name2-[[methyl(2-phenylethyl)amino]methyl]benzoic acid
SMILESCN(CCc1ccccc1)Cc1ccccc1C(=O)O
InChIInChI=1S/C17H19NO2/c1-18(12-11-14-7-3-2-4-8-14)13-15-9-5-6-10-16(15)17(19)20/h2-10H,11-13H2,1H3,(H,19,20)
InChIKeyKUUIDAOMLVDNAQ-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

2-fluoro-3-[[methyl(2-phenylethyl)amino]methyl]benzoic acid
CID 107119523
2-[[ethyl(methyl)amino]methyl]benzoic acid
CID 43473290
2-[2-[methyl-[(2-methylphenyl)methyl]amino]ethyl]benzoic acid
CID 104548755
[2-[[methyl(2-phenylethyl)amino]methyl]phenyl]boronic acid
CID 65488036
2-[2-[(3-fluorophenyl)methyl-methylamino]ethyl]benzoic acid
CID 104548693
2-[[methyl-[(4-methylphenyl)methyl]amino]methyl]benzoic acid
CID 43473283
2-[2-[methyl(propyl)amino]ethyl]benzoic acid
CID 104548831
3-[[methyl(2-phenylethyl)amino]methyl]thiophene-2-carboxylic acid
CID 65488572
2-[[methyl(2-phenylethyl)amino]methyl]aniline
CID 23507547
3-[[methyl(2-phenylethyl)amino]methyl]benzoic acid
CID 65486667
2-[[(4-methoxyphenyl)methyl-methylamino]methyl]benzoic acid
CID 61418111
2-[2-[(5-ethylfuran-2-yl)methyl-methylamino]ethyl]benzoic acid
CID 104548913

Frequently Asked Questions

What is the IUPAC name of 2-[[methyl(2-phenylethyl)amino]methyl]benzoic acid?
The IUPAC name of 2-[[methyl(2-phenylethyl)amino]methyl]benzoic acid (CID 65486668) is 2-[[methyl(2-phenylethyl)amino]methyl]benzoic acid.
What is the SMILES notation for 2-[[methyl(2-phenylethyl)amino]methyl]benzoic acid?
The canonical SMILES for 2-[[methyl(2-phenylethyl)amino]methyl]benzoic acid is CN(CCc1ccccc1)Cc1ccccc1C(=O)O.
What is the InChIKey of 2-[[methyl(2-phenylethyl)amino]methyl]benzoic acid?
The InChIKey is KUUIDAOMLVDNAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO2/c1-18(12-11-14-7-3-2-4-8-14)13-15-9-5-6-10-16(15)17(19)20/h2-10H,11-13H2,1H3,(H,19,20).
What are the key properties of 2-[[methyl(2-phenylethyl)amino]methyl]benzoic acid?
2-[[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 2-[[methyl(2-phenylethyl)amino]methyl]benzoic acid is sourced from PubChem (CID 65486668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).