2-(4-ethylphenyl)-2-[(4-fluorophenyl)methylamino]acetic acid

C17H18FNO2 — CID 84747391

IUPAC2-(4-ethylphenyl)-2-[(4-fluorophenyl)methylamino]acetic acid
SMILESCCc1ccc(C(NCc2ccc(F)cc2)C(=O)O)cc1
InChIInChI=1S/C17H18FNO2/c1-2-12-3-7-14(8-4-12)16(17(20)21)19-11-13-5-9-15(18)10-6-13/h3-10,16,19H,2,11H2,1H3,(H,20,21)
InChIKeyMLHHFQUFTPIWEN-UHFFFAOYSA-N
MW287.33 g/mol
LogP3.30
Rot. Bonds6

About 2-(4-ethylphenyl)-2-[(4-fluorophenyl)methylamino]acetic acid

2-(4-ethylphenyl)-2-[(4-fluorophenyl)methylamino]acetic acid (PubChem CID 84747391) has the molecular formula C17H18FNO2 and a molecular weight of 287.33 g/mol. Its IUPAC name is 2-(4-ethylphenyl)-2-[(4-fluorophenyl)methylamino]acetic acid.

Molecular Properties

Compound Name2-(4-ethylphenyl)-2-[(4-fluorophenyl)methylamino]acetic acid
PubChem CID84747391
Molecular FormulaC17H18FNO2
Molecular Weight287.33 g/mol
Exact Mass287.13
IUPAC Name2-(4-ethylphenyl)-2-[(4-fluorophenyl)methylamino]acetic acid
SMILESCCc1ccc(C(NCc2ccc(F)cc2)C(=O)O)cc1
InChIInChI=1S/C17H18FNO2/c1-2-12-3-7-14(8-4-12)16(17(20)21)19-11-13-5-9-15(18)10-6-13/h3-10,16,19H,2,11H2,1H3,(H,20,21)
InChIKeyMLHHFQUFTPIWEN-UHFFFAOYSA-N
XLogP3.30
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.33
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(butylamino)-2-(4-ethylphenyl)acetic acid
CID 84747252
3-[[carboxy-(4-ethylphenyl)methyl]amino]propanoic acid
CID 84747535
2-(2,4-difluorophenyl)-2-[(4-fluorophenyl)methylamino]acetic acid
CID 84746744
N-[(4-ethylphenyl)methyl]-1-(4-fluorophenyl)ethanamine
CID 43078764
ethyl 2-[(4-fluorophenyl)methylamino]-2-phenylacetate
CID 103600877
2-(4-ethylphenyl)-2-[(2-methoxyphenyl)methylamino]acetic acid
CID 84747421
1-(4-ethylphenyl)-2-[(4-fluorophenyl)methylamino]propan-1-one
CID 82100239
2-[(4-methylphenyl)methylamino]-2-phenylacetic acid
CID 55036353
2-(4-ethylphenyl)-3-(4-fluorophenyl)propanoic acid
CID 82093362
(2R)-2-(benzylamino)-2-(4-methylphenyl)acetic acid
CID 10587129
2-(4-ethylphenyl)-2-(propan-2-ylamino)acetic acid
CID 43754325
2-(4-ethylphenyl)-2-(3-fluoro-5-methylanilino)acetic acid
CID 79044647

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylphenyl)-2-[(4-fluorophenyl)methylamino]acetic acid?
The IUPAC name of 2-(4-ethylphenyl)-2-[(4-fluorophenyl)methylamino]acetic acid (CID 84747391) is 2-(4-ethylphenyl)-2-[(4-fluorophenyl)methylamino]acetic acid.
What is the SMILES notation for 2-(4-ethylphenyl)-2-[(4-fluorophenyl)methylamino]acetic acid?
The canonical SMILES for 2-(4-ethylphenyl)-2-[(4-fluorophenyl)methylamino]acetic acid is CCc1ccc(C(NCc2ccc(F)cc2)C(=O)O)cc1.
What is the InChIKey of 2-(4-ethylphenyl)-2-[(4-fluorophenyl)methylamino]acetic acid?
The InChIKey is MLHHFQUFTPIWEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FNO2/c1-2-12-3-7-14(8-4-12)16(17(20)21)19-11-13-5-9-15(18)10-6-13/h3-10,16,19H,2,11H2,1H3,(H,20,21).
What are the key properties of 2-(4-ethylphenyl)-2-[(4-fluorophenyl)methylamino]acetic acid?
2-(4-ethylphenyl)-2-[(4-fluorophenyl)methylamino]acetic acid has a molecular weight of 287.33 g/mol, XLogP of 3.30, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylphenyl)-2-[(4-fluorophenyl)methylamino]acetic acid is sourced from PubChem (CID 84747391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).