2-[4-[(2,6-dimethylanilino)methyl]phenyl]acetic acid

C17H19NO2 — CID 103247796

IUPAC2-[4-[(2,6-dimethylanilino)methyl]phenyl]acetic acid
SMILESCc1cccc(C)c1NCc1ccc(CC(=O)O)cc1
InChIInChI=1S/C17H19NO2/c1-12-4-3-5-13(2)17(12)18-11-15-8-6-14(7-9-15)10-16(19)20/h3-9,18H,10-11H2,1-2H3,(H,19,20)
InChIKeyJZLLPGVLCBKZHU-UHFFFAOYSA-N
MW269.34 g/mol
LogP3.54
Rot. Bonds5

About 2-[4-[(2,6-dimethylanilino)methyl]phenyl]acetic acid

2-[4-[(2,6-dimethylanilino)methyl]phenyl]acetic acid (PubChem CID 103247796) has the molecular formula C17H19NO2 and a molecular weight of 269.34 g/mol. Its IUPAC name is 2-[4-[(2,6-dimethylanilino)methyl]phenyl]acetic acid.

Molecular Properties

Compound Name2-[4-[(2,6-dimethylanilino)methyl]phenyl]acetic acid
PubChem CID103247796
Molecular FormulaC17H19NO2
Molecular Weight269.34 g/mol
Exact Mass269.14
IUPAC Name2-[4-[(2,6-dimethylanilino)methyl]phenyl]acetic acid
SMILESCc1cccc(C)c1NCc1ccc(CC(=O)O)cc1
InChIInChI=1S/C17H19NO2/c1-12-4-3-5-13(2)17(12)18-11-15-8-6-14(7-9-15)10-16(19)20/h3-9,18H,10-11H2,1-2H3,(H,19,20)
InChIKeyJZLLPGVLCBKZHU-UHFFFAOYSA-N
XLogP3.54
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-[[(2-methylphenyl)methylamino]methyl]phenyl]acetic acid
CID 103239796
2-[(4-ethylphenyl)methylamino]-3-methylbenzoic acid
CID 107112483
2-[4-[[(2,6-dimethylphenyl)methylsulfonylamino]methyl]phenyl]acetic acid
CID 167851701
5-[(2,6-dimethylanilino)methyl]furan-2-carboxylic acid
CID 82096130
N-[(4-chlorophenyl)methyl]-2-ethyl-6-methylaniline
CID 54798399
2-[4-[(4-fluoro-2-methylanilino)methyl]phenyl]acetic acid
CID 103236050
2-[4-[(3-bromo-4-methylanilino)methyl]phenyl]acetic acid
CID 103251368
2-[(2,6-dimethylanilino)methyl]phenol
CID 4863460
2-[4-[(3-methylpentan-3-ylamino)methyl]phenyl]acetic acid
CID 106330128
3-methyl-2-[[2-(4-methylphenyl)acetyl]amino]benzoic acid
CID 43235606
3-methyl-2-[(2-methylphenyl)methylamino]benzoic acid
CID 107111894
[4-[(2-chloro-6-methylanilino)methyl]phenyl]methanol
CID 112630922

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2,6-dimethylanilino)methyl]phenyl]acetic acid?
The IUPAC name of 2-[4-[(2,6-dimethylanilino)methyl]phenyl]acetic acid (CID 103247796) is 2-[4-[(2,6-dimethylanilino)methyl]phenyl]acetic acid.
What is the SMILES notation for 2-[4-[(2,6-dimethylanilino)methyl]phenyl]acetic acid?
The canonical SMILES for 2-[4-[(2,6-dimethylanilino)methyl]phenyl]acetic acid is Cc1cccc(C)c1NCc1ccc(CC(=O)O)cc1.
What is the InChIKey of 2-[4-[(2,6-dimethylanilino)methyl]phenyl]acetic acid?
The InChIKey is JZLLPGVLCBKZHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO2/c1-12-4-3-5-13(2)17(12)18-11-15-8-6-14(7-9-15)10-16(19)20/h3-9,18H,10-11H2,1-2H3,(H,19,20).
What are the key properties of 2-[4-[(2,6-dimethylanilino)methyl]phenyl]acetic acid?
2-[4-[(2,6-dimethylanilino)methyl]phenyl]acetic acid has a molecular weight of 269.34 g/mol, XLogP of 3.54, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2,6-dimethylanilino)methyl]phenyl]acetic acid is sourced from PubChem (CID 103247796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).