2-[1-(2-fluorophenyl)ethyl-methylamino]acetic acid

C11H14FNO2 — CID 62979540

IUPAC2-[1-(2-fluorophenyl)ethyl-methylamino]acetic acid
SMILESCC(c1ccccc1F)N(C)CC(=O)O
InChIInChI=1S/C11H14FNO2/c1-8(13(2)7-11(14)15)9-5-3-4-6-10(9)12/h3-6,8H,7H2,1-2H3,(H,14,15)
InChIKeyBJZMTINTDUYZMN-UHFFFAOYSA-N
MW211.24 g/mol
LogP1.90
Rot. Bonds4

About 2-[1-(2-fluorophenyl)ethyl-methylamino]acetic acid

2-[1-(2-fluorophenyl)ethyl-methylamino]acetic acid (PubChem CID 62979540) has the molecular formula C11H14FNO2 and a molecular weight of 211.24 g/mol. Its IUPAC name is 2-[1-(2-fluorophenyl)ethyl-methylamino]acetic acid.

Molecular Properties

Compound Name2-[1-(2-fluorophenyl)ethyl-methylamino]acetic acid
PubChem CID62979540
Molecular FormulaC11H14FNO2
Molecular Weight211.24 g/mol
Exact Mass211.10
IUPAC Name2-[1-(2-fluorophenyl)ethyl-methylamino]acetic acid
SMILESCC(c1ccccc1F)N(C)CC(=O)O
InChIInChI=1S/C11H14FNO2/c1-8(13(2)7-11(14)15)9-5-3-4-6-10(9)12/h3-6,8H,7H2,1-2H3,(H,14,15)
InChIKeyBJZMTINTDUYZMN-UHFFFAOYSA-N
XLogP1.90
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.24
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-(2-fluorophenyl)ethyl-methylamino]-N-(2-hydroxyethyl)acetamide
CID 55140277
2-[1-(2-fluorophenyl)ethyl-methylamino]-N'-hydroxyethanimidamide
CID 76979744
2-[1-(2-fluorophenyl)ethyl-methylamino]-1-piperazin-1-ylethanone
CID 61018397
1-(3-bromophenyl)-2-[1-(2-fluorophenyl)ethyl-methylamino]ethanone
CID 62978155
1-[1-(2-fluorophenyl)ethyl-methylamino]-2-methylpropan-2-ol
CID 62980625
2-[[1-(2-fluorophenyl)ethyl-methylcarbamoyl]-prop-2-enylamino]acetic acid
CID 79270841
1-[1-(2-fluorophenyl)ethyl-methylamino]-3,3-dimethylbutan-2-ol
CID 55139894
2-[1-(2,6-dihydroxyphenyl)ethyl-methylamino]acetic acid
CID 107711518
5-[[1-(2-fluorophenyl)ethyl-methylamino]methyl]oxolane-2-carboxylic acid
CID 62979551
2-[benzyl(methyl)amino]-2-(2-fluorophenyl)acetic acid
CID 84751337
4-[[1-(2-fluorophenyl)ethyl-methylcarbamoyl]-methylamino]butanoic acid
CID 62986010
hydrazinyl 3-[1-(2-fluorophenyl)ethyl-methylamino]propanoate
CID 66338215

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-fluorophenyl)ethyl-methylamino]acetic acid?
The IUPAC name of 2-[1-(2-fluorophenyl)ethyl-methylamino]acetic acid (CID 62979540) is 2-[1-(2-fluorophenyl)ethyl-methylamino]acetic acid.
What is the SMILES notation for 2-[1-(2-fluorophenyl)ethyl-methylamino]acetic acid?
The canonical SMILES for 2-[1-(2-fluorophenyl)ethyl-methylamino]acetic acid is CC(c1ccccc1F)N(C)CC(=O)O.
What is the InChIKey of 2-[1-(2-fluorophenyl)ethyl-methylamino]acetic acid?
The InChIKey is BJZMTINTDUYZMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FNO2/c1-8(13(2)7-11(14)15)9-5-3-4-6-10(9)12/h3-6,8H,7H2,1-2H3,(H,14,15).
What are the key properties of 2-[1-(2-fluorophenyl)ethyl-methylamino]acetic acid?
2-[1-(2-fluorophenyl)ethyl-methylamino]acetic acid has a molecular weight of 211.24 g/mol, XLogP of 1.90, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-fluorophenyl)ethyl-methylamino]acetic acid is sourced from PubChem (CID 62979540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).