2-[(2-ethylphenyl)methylamino]-2-phenylacetic acid

C17H19NO2 — CID 62392789

IUPAC2-[(2-ethylphenyl)methylamino]-2-phenylacetic acid
SMILESCCc1ccccc1CNC(C(=O)O)c1ccccc1
InChIInChI=1S/C17H19NO2/c1-2-13-8-6-7-11-15(13)12-18-16(17(19)20)14-9-4-3-5-10-14/h3-11,16,18H,2,12H2,1H3,(H,19,20)
InChIKeyDNOCPVKMGGIIJU-UHFFFAOYSA-N
MW269.34 g/mol
LogP3.16
Rot. Bonds6

About 2-[(2-ethylphenyl)methylamino]-2-phenylacetic acid

2-[(2-ethylphenyl)methylamino]-2-phenylacetic acid (PubChem CID 62392789) has the molecular formula C17H19NO2 and a molecular weight of 269.34 g/mol. Its IUPAC name is 2-[(2-ethylphenyl)methylamino]-2-phenylacetic acid.

Molecular Properties

Compound Name2-[(2-ethylphenyl)methylamino]-2-phenylacetic acid
PubChem CID62392789
Molecular FormulaC17H19NO2
Molecular Weight269.34 g/mol
Exact Mass269.14
IUPAC Name2-[(2-ethylphenyl)methylamino]-2-phenylacetic acid
SMILESCCc1ccccc1CNC(C(=O)O)c1ccccc1
InChIInChI=1S/C17H19NO2/c1-2-13-8-6-7-11-15(13)12-18-16(17(19)20)14-9-4-3-5-10-14/h3-11,16,18H,2,12H2,1H3,(H,19,20)
InChIKeyDNOCPVKMGGIIJU-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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Related Compounds

2-[(3-ethyl-2-pyridinyl)methylamino]-2-phenylacetic acid
CID 103261743
2-(4-ethylphenyl)-2-[(2-methoxyphenyl)methylamino]acetic acid
CID 84747421
2-[(4-methylphenyl)methylamino]-2-phenylacetic acid
CID 55036353
(2S)-2-(2-ethylbutylamino)-2-phenylacetic acid
CID 122038582
2-(benzylamino)-2-(2-ethylphenyl)acetic acid
CID 62416657
(2R)-2-[(2-fluorophenyl)methylamino]-2-(4-hydroxyphenyl)acetic acid
CID 166226941
(2R)-2-(pentylamino)-2-phenylacetic acid
CID 94357515
(2S)-2-[(5-ethyl-1,3-thiazol-2-yl)methylamino]-2-phenylacetic acid
CID 122038564
(2S)-2-phenyl-2-[(3-propylphenyl)methylamino]acetic acid
CID 120511809
(2R)-2-phenyl-2-[(3-propylphenyl)methylamino]acetic acid
CID 120510352
2-(1-benzothiophen-3-ylmethylamino)-2-phenylacetic acid
CID 62698115
2-(2,2-dimethylbutylamino)-2-phenylacetic acid
CID 103462757

Frequently Asked Questions

What is the IUPAC name of 2-[(2-ethylphenyl)methylamino]-2-phenylacetic acid?
The IUPAC name of 2-[(2-ethylphenyl)methylamino]-2-phenylacetic acid (CID 62392789) is 2-[(2-ethylphenyl)methylamino]-2-phenylacetic acid.
What is the SMILES notation for 2-[(2-ethylphenyl)methylamino]-2-phenylacetic acid?
The canonical SMILES for 2-[(2-ethylphenyl)methylamino]-2-phenylacetic acid is CCc1ccccc1CNC(C(=O)O)c1ccccc1.
What is the InChIKey of 2-[(2-ethylphenyl)methylamino]-2-phenylacetic acid?
The InChIKey is DNOCPVKMGGIIJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO2/c1-2-13-8-6-7-11-15(13)12-18-16(17(19)20)14-9-4-3-5-10-14/h3-11,16,18H,2,12H2,1H3,(H,19,20).
What are the key properties of 2-[(2-ethylphenyl)methylamino]-2-phenylacetic acid?
2-[(2-ethylphenyl)methylamino]-2-phenylacetic 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-[(2-ethylphenyl)methylamino]-2-phenylacetic acid is sourced from PubChem (CID 62392789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).