2-(benzylamino)-2-(2-ethylphenyl)acetic acid

C17H19NO2 — CID 62416657

IUPAC2-(benzylamino)-2-(2-ethylphenyl)acetic acid
SMILESCCc1ccccc1C(NCc1ccccc1)C(=O)O
InChIInChI=1S/C17H19NO2/c1-2-14-10-6-7-11-15(14)16(17(19)20)18-12-13-8-4-3-5-9-13/h3-11,16,18H,2,12H2,1H3,(H,19,20)
InChIKeyUMLTUOAAMBHJNL-UHFFFAOYSA-N
MW269.34 g/mol
LogP3.16
Rot. Bonds6

About 2-(benzylamino)-2-(2-ethylphenyl)acetic acid

2-(benzylamino)-2-(2-ethylphenyl)acetic acid (PubChem CID 62416657) has the molecular formula C17H19NO2 and a molecular weight of 269.34 g/mol. Its IUPAC name is 2-(benzylamino)-2-(2-ethylphenyl)acetic acid.

Molecular Properties

Compound Name2-(benzylamino)-2-(2-ethylphenyl)acetic acid
PubChem CID62416657
Molecular FormulaC17H19NO2
Molecular Weight269.34 g/mol
Exact Mass269.14
IUPAC Name2-(benzylamino)-2-(2-ethylphenyl)acetic acid
SMILESCCc1ccccc1C(NCc1ccccc1)C(=O)O
InChIInChI=1S/C17H19NO2/c1-2-14-10-6-7-11-15(14)16(17(19)20)18-12-13-8-4-3-5-9-13/h3-11,16,18H,2,12H2,1H3,(H,19,20)
InChIKeyUMLTUOAAMBHJNL-UHFFFAOYSA-N
XLogP3.16
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 ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(benzylamino)-2-(2-ethylphenyl)acetic acid?
The IUPAC name of 2-(benzylamino)-2-(2-ethylphenyl)acetic acid (CID 62416657) is 2-(benzylamino)-2-(2-ethylphenyl)acetic acid.
What is the SMILES notation for 2-(benzylamino)-2-(2-ethylphenyl)acetic acid?
The canonical SMILES for 2-(benzylamino)-2-(2-ethylphenyl)acetic acid is CCc1ccccc1C(NCc1ccccc1)C(=O)O.
What is the InChIKey of 2-(benzylamino)-2-(2-ethylphenyl)acetic acid?
The InChIKey is UMLTUOAAMBHJNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO2/c1-2-14-10-6-7-11-15(14)16(17(19)20)18-12-13-8-4-3-5-9-13/h3-11,16,18H,2,12H2,1H3,(H,19,20).
What are the key properties of 2-(benzylamino)-2-(2-ethylphenyl)acetic acid?
2-(benzylamino)-2-(2-ethylphenyl)acetic acid has a molecular weight of 269.34 g/mol, XLogP of 3.16, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzylamino)-2-(2-ethylphenyl)acetic acid is sourced from PubChem (CID 62416657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).