2-[benzyl(methyl)amino]-2-(2-fluorophenyl)acetic acid

C16H16FNO2 — CID 84751337

IUPAC2-[benzyl(methyl)amino]-2-(2-fluorophenyl)acetic acid
SMILESCN(Cc1ccccc1)C(C(=O)O)c1ccccc1F
InChIInChI=1S/C16H16FNO2/c1-18(11-12-7-3-2-4-8-12)15(16(19)20)13-9-5-6-10-14(13)17/h2-10,15H,11H2,1H3,(H,19,20)
InChIKeyRUQHMFSSMAMSOO-UHFFFAOYSA-N
MW273.31 g/mol
LogP3.08
Rot. Bonds5

About 2-[benzyl(methyl)amino]-2-(2-fluorophenyl)acetic acid

2-[benzyl(methyl)amino]-2-(2-fluorophenyl)acetic acid (PubChem CID 84751337) has the molecular formula C16H16FNO2 and a molecular weight of 273.31 g/mol. Its IUPAC name is 2-[benzyl(methyl)amino]-2-(2-fluorophenyl)acetic acid.

Molecular Properties

Compound Name2-[benzyl(methyl)amino]-2-(2-fluorophenyl)acetic acid
PubChem CID84751337
Molecular FormulaC16H16FNO2
Molecular Weight273.31 g/mol
Exact Mass273.12
IUPAC Name2-[benzyl(methyl)amino]-2-(2-fluorophenyl)acetic acid
SMILESCN(Cc1ccccc1)C(C(=O)O)c1ccccc1F
InChIInChI=1S/C16H16FNO2/c1-18(11-12-7-3-2-4-8-12)15(16(19)20)13-9-5-6-10-14(13)17/h2-10,15H,11H2,1H3,(H,19,20)
InChIKeyRUQHMFSSMAMSOO-UHFFFAOYSA-N
XLogP3.08
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.31
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-(dimethylamino)-2-(2-fluorophenyl)acetic acid
CID 26722551
2-[(2-ethyl-1,3-thiazol-4-yl)methyl-methylamino]-2-(2-fluorophenyl)acetic acid
CID 136550329
2-(N-ethylanilino)-2-(2-fluorophenyl)acetic acid
CID 84746440
2-[1-(2-fluorophenyl)ethyl-methylamino]acetic acid
CID 62979540
2-phenylethyl (2R)-2-(dimethylamino)-2-(2-fluorophenyl)acetate
CID 66728374
2-[dimethylamino-(2-fluorophenyl)methyl]butanoic acid
CID 116913127
methyl (2R,3S)-2-(dibenzylamino)-3-(2-fluorophenyl)-3-hydroxypropanoate
CID 101112778
(2R)-2-[benzyl(methyl)amino]-3-phenylpropanoic acid
CID 825996
(2S)-2-[benzyl(methyl)amino]-N-(2,6-difluorophenyl)propanamide
CID 9274676
(2S)-2-(2,3-difluorophenyl)-2-(dimethylamino)acetic acid
CID 174754003
methyl (2R)-2-[benzyl(methyl)amino]-3-hydroxypropanoate
CID 121010319
(2R)-2-[benzyl(methyl)amino]-2-phenylacetamide;hydrate;hydrochloride
CID 68952302

Frequently Asked Questions

What is the IUPAC name of 2-[benzyl(methyl)amino]-2-(2-fluorophenyl)acetic acid?
The IUPAC name of 2-[benzyl(methyl)amino]-2-(2-fluorophenyl)acetic acid (CID 84751337) is 2-[benzyl(methyl)amino]-2-(2-fluorophenyl)acetic acid.
What is the SMILES notation for 2-[benzyl(methyl)amino]-2-(2-fluorophenyl)acetic acid?
The canonical SMILES for 2-[benzyl(methyl)amino]-2-(2-fluorophenyl)acetic acid is CN(Cc1ccccc1)C(C(=O)O)c1ccccc1F.
What is the InChIKey of 2-[benzyl(methyl)amino]-2-(2-fluorophenyl)acetic acid?
The InChIKey is RUQHMFSSMAMSOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FNO2/c1-18(11-12-7-3-2-4-8-12)15(16(19)20)13-9-5-6-10-14(13)17/h2-10,15H,11H2,1H3,(H,19,20).
What are the key properties of 2-[benzyl(methyl)amino]-2-(2-fluorophenyl)acetic acid?
2-[benzyl(methyl)amino]-2-(2-fluorophenyl)acetic acid has a molecular weight of 273.31 g/mol, XLogP of 3.08, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl(methyl)amino]-2-(2-fluorophenyl)acetic acid is sourced from PubChem (CID 84751337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).