2-[4-[[(2-methylphenyl)methylamino]methyl]phenyl]acetic acid

C17H19NO2 — CID 103239796

IUPAC2-[4-[[(2-methylphenyl)methylamino]methyl]phenyl]acetic acid
SMILESCc1ccccc1CNCc1ccc(CC(=O)O)cc1
InChIInChI=1S/C17H19NO2/c1-13-4-2-3-5-16(13)12-18-11-15-8-6-14(7-9-15)10-17(19)20/h2-9,18H,10-12H2,1H3,(H,19,20)
InChIKeyOQHRLMQMFXSUNA-UHFFFAOYSA-N
MW269.34 g/mol
LogP2.91
Rot. Bonds6

About 2-[4-[[(2-methylphenyl)methylamino]methyl]phenyl]acetic acid

2-[4-[[(2-methylphenyl)methylamino]methyl]phenyl]acetic acid (PubChem CID 103239796) has the molecular formula C17H19NO2 and a molecular weight of 269.34 g/mol. Its IUPAC name is 2-[4-[[(2-methylphenyl)methylamino]methyl]phenyl]acetic acid.

Molecular Properties

Compound Name2-[4-[[(2-methylphenyl)methylamino]methyl]phenyl]acetic acid
PubChem CID103239796
Molecular FormulaC17H19NO2
Molecular Weight269.34 g/mol
Exact Mass269.14
IUPAC Name2-[4-[[(2-methylphenyl)methylamino]methyl]phenyl]acetic acid
SMILESCc1ccccc1CNCc1ccc(CC(=O)O)cc1
InChIInChI=1S/C17H19NO2/c1-13-4-2-3-5-16(13)12-18-11-15-8-6-14(7-9-15)10-17(19)20/h2-9,18H,10-12H2,1H3,(H,19,20)
InChIKeyOQHRLMQMFXSUNA-UHFFFAOYSA-N
XLogP2.91
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[[(2-methylphenyl)methylamino]methyl]benzoic acid
CID 3471032
4-[[(2-methylphenyl)methylamino]methyl]benzoic acid;hydrochloride
CID 6459710
4-[[(2-methylphenyl)methylamino]methyl]phenol
CID 39247073
1-(4-methylphenyl)-N-[(2-methylphenyl)methyl]methanamine
CID 4724057
2-[4-[[(2-bromophenyl)methylamino]methyl]phenyl]acetic acid
CID 103244811
1-(4-chlorophenyl)-N-[(2-methylphenyl)methyl]methanamine
CID 8898296
2-(2-methylphenyl)acetic acid
CID 67440217
N-[(2-methylphenyl)methyl]-1-[4-(methylsulfonylmethyl)phenyl]methanamine
CID 47052632
N-benzyl-1-phenylmethanamine;1-methyl-2-[(2-methylphenyl)methyl]benzene
CID 70442876
2-[4-[[(4-hydroxyphenyl)methylamino]methyl]phenyl]acetic acid
CID 103268485
methanesulfonic acid;1-(2-methylphenyl)-N-[(2-methylphenyl)methyl]methanamine
CID 173322724
2-[4-[(2,6-dimethylanilino)methyl]phenyl]acetic acid
CID 103247796

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[(2-methylphenyl)methylamino]methyl]phenyl]acetic acid?
The IUPAC name of 2-[4-[[(2-methylphenyl)methylamino]methyl]phenyl]acetic acid (CID 103239796) is 2-[4-[[(2-methylphenyl)methylamino]methyl]phenyl]acetic acid.
What is the SMILES notation for 2-[4-[[(2-methylphenyl)methylamino]methyl]phenyl]acetic acid?
The canonical SMILES for 2-[4-[[(2-methylphenyl)methylamino]methyl]phenyl]acetic acid is Cc1ccccc1CNCc1ccc(CC(=O)O)cc1.
What is the InChIKey of 2-[4-[[(2-methylphenyl)methylamino]methyl]phenyl]acetic acid?
The InChIKey is OQHRLMQMFXSUNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO2/c1-13-4-2-3-5-16(13)12-18-11-15-8-6-14(7-9-15)10-17(19)20/h2-9,18H,10-12H2,1H3,(H,19,20).
What are the key properties of 2-[4-[[(2-methylphenyl)methylamino]methyl]phenyl]acetic acid?
2-[4-[[(2-methylphenyl)methylamino]methyl]phenyl]acetic acid has a molecular weight of 269.34 g/mol, XLogP of 2.91, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[(2-methylphenyl)methylamino]methyl]phenyl]acetic acid is sourced from PubChem (CID 103239796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).