2-[[(2,5-dimethylphenyl)-phenylmethyl]amino]acetic acid

C17H19NO2 — CID 43135171

IUPAC2-[[(2,5-dimethylphenyl)-phenylmethyl]amino]acetic acid
SMILESCc1ccc(C)c(C(NCC(=O)O)c2ccccc2)c1
InChIInChI=1S/C17H19NO2/c1-12-8-9-13(2)15(10-12)17(18-11-16(19)20)14-6-4-3-5-7-14/h3-10,17-18H,11H2,1-2H3,(H,19,20)
InChIKeyLQMBVGRBHGPWSH-UHFFFAOYSA-N
MW269.34 g/mol
LogP3.07
Rot. Bonds5

About 2-[[(2,5-dimethylphenyl)-phenylmethyl]amino]acetic acid

2-[[(2,5-dimethylphenyl)-phenylmethyl]amino]acetic acid (PubChem CID 43135171) has the molecular formula C17H19NO2 and a molecular weight of 269.34 g/mol. Its IUPAC name is 2-[[(2,5-dimethylphenyl)-phenylmethyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[(2,5-dimethylphenyl)-phenylmethyl]amino]acetic acid
PubChem CID43135171
Molecular FormulaC17H19NO2
Molecular Weight269.34 g/mol
Exact Mass269.14
IUPAC Name2-[[(2,5-dimethylphenyl)-phenylmethyl]amino]acetic acid
SMILESCc1ccc(C)c(C(NCC(=O)O)c2ccccc2)c1
InChIInChI=1S/C17H19NO2/c1-12-8-9-13(2)15(10-12)17(18-11-16(19)20)14-6-4-3-5-7-14/h3-10,17-18H,11H2,1-2H3,(H,19,20)
InChIKeyLQMBVGRBHGPWSH-UHFFFAOYSA-N
XLogP3.07
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 ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[[(2,5-dimethylphenyl)-phenylmethyl]amino]propanoic acid
CID 43322308
2-[[(2,5-dimethylphenyl)-phenylmethyl]amino]ethanol
CID 43151186
N-methyl-2-[[(2-methylphenyl)-phenylmethyl]amino]acetamide
CID 78913864
(2R)-N-[(S)-(2,5-dimethylphenyl)-phenylmethyl]-2-phenoxybutanamide
CID 7366385
4-[[(2-methylphenyl)-phenylmethyl]amino]butanoic acid
CID 79481040
1-(2,5-dimethylphenyl)-1-phenylbutan-2-one
CID 79307352
1-(2,5-dimethylphenyl)-N-(2-methylpropoxy)-1-phenylmethanamine
CID 82710589
2-(2,5-dimethylphenyl)-3-phenylbutanoic acid
CID 82140170
N-[(5-chloro-2-methylphenyl)-phenylmethyl]ethanamine
CID 82883967
N-[(2,5-dimethylphenyl)-(4-fluorophenyl)methyl]ethanamine
CID 43488838
N-(4-methylphenyl)-2-[[(S)-(4-methylphenyl)-phenylmethyl]amino]acetamide
CID 9392626
N-(2-chloro-4-methylphenyl)-2-[[(S)-(4-methylphenyl)-phenylmethyl]amino]acetamide
CID 9392747

Frequently Asked Questions

What is the IUPAC name of 2-[[(2,5-dimethylphenyl)-phenylmethyl]amino]acetic acid?
The IUPAC name of 2-[[(2,5-dimethylphenyl)-phenylmethyl]amino]acetic acid (CID 43135171) is 2-[[(2,5-dimethylphenyl)-phenylmethyl]amino]acetic acid.
What is the SMILES notation for 2-[[(2,5-dimethylphenyl)-phenylmethyl]amino]acetic acid?
The canonical SMILES for 2-[[(2,5-dimethylphenyl)-phenylmethyl]amino]acetic acid is Cc1ccc(C)c(C(NCC(=O)O)c2ccccc2)c1.
What is the InChIKey of 2-[[(2,5-dimethylphenyl)-phenylmethyl]amino]acetic acid?
The InChIKey is LQMBVGRBHGPWSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO2/c1-12-8-9-13(2)15(10-12)17(18-11-16(19)20)14-6-4-3-5-7-14/h3-10,17-18H,11H2,1-2H3,(H,19,20).
What are the key properties of 2-[[(2,5-dimethylphenyl)-phenylmethyl]amino]acetic acid?
2-[[(2,5-dimethylphenyl)-phenylmethyl]amino]acetic acid has a molecular weight of 269.34 g/mol, XLogP of 3.07, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2,5-dimethylphenyl)-phenylmethyl]amino]acetic acid is sourced from PubChem (CID 43135171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).