2-[2-[2-(dimethylamino)ethylamino]-6-fluorophenyl]acetic acid

C12H17FN2O2 — CID 95454787

IUPAC2-[2-[2-(dimethylamino)ethylamino]-6-fluorophenyl]acetic acid
SMILESCN(C)CCNc1cccc(F)c1CC(=O)O
InChIInChI=1S/C12H17FN2O2/c1-15(2)7-6-14-11-5-3-4-10(13)9(11)8-12(16)17/h3-5,14H,6-8H2,1-2H3,(H,16,17)
InChIKeyROXODCGMEFTWFK-UHFFFAOYSA-N
MW240.28 g/mol
LogP1.43
Rot. Bonds6

About 2-[2-[2-(dimethylamino)ethylamino]-6-fluorophenyl]acetic acid

2-[2-[2-(dimethylamino)ethylamino]-6-fluorophenyl]acetic acid (PubChem CID 95454787) has the molecular formula C12H17FN2O2 and a molecular weight of 240.28 g/mol. Its IUPAC name is 2-[2-[2-(dimethylamino)ethylamino]-6-fluorophenyl]acetic acid.

Molecular Properties

Compound Name2-[2-[2-(dimethylamino)ethylamino]-6-fluorophenyl]acetic acid
PubChem CID95454787
Molecular FormulaC12H17FN2O2
Molecular Weight240.28 g/mol
Exact Mass240.13
IUPAC Name2-[2-[2-(dimethylamino)ethylamino]-6-fluorophenyl]acetic acid
SMILESCN(C)CCNc1cccc(F)c1CC(=O)O
InChIInChI=1S/C12H17FN2O2/c1-15(2)7-6-14-11-5-3-4-10(13)9(11)8-12(16)17/h3-5,14H,6-8H2,1-2H3,(H,16,17)
InChIKeyROXODCGMEFTWFK-UHFFFAOYSA-N
XLogP1.43
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.28
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-fluoro-6-(methylamino)phenyl]acetic acid
CID 82280939
2-[2-fluoro-6-(propan-2-ylamino)phenyl]acetic acid
CID 82284132
2-[2-(butan-2-ylamino)-6-fluorophenyl]acetic acid
CID 82287570
2-[2-(dimethylamino)-6-fluorophenyl]acetic acid
CID 19899901
N-[2-(dimethylamino)ethyl]-2,6-difluorobenzamide
CID 17249262
2-(2-acetyl-6-fluorophenyl)acetic acid
CID 121231894
N-[2-(dimethylamino)ethyl]-N'-(2-fluorophenyl)oxamide
CID 7541475
N'-benzyl-N-(2-fluorophenyl)-N'-methylethane-1,2-diamine
CID 54806556
2-[2-[2-(dimethylamino)ethylcarbamoyl]phenyl]acetic acid
CID 114199769
2-[2-(dimethylamino)ethylamino]-N-(2-fluorophenyl)acetamide
CID 28586883
2-(2-chloro-6-fluorophenyl)-N-[3-(dimethylamino)propyl]acetamide
CID 132964109
N-(2,6-difluorophenyl)-5-[2-(dimethylamino)ethylamino]pyridine-3-carboxamide
CID 109229445

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(dimethylamino)ethylamino]-6-fluorophenyl]acetic acid?
The IUPAC name of 2-[2-[2-(dimethylamino)ethylamino]-6-fluorophenyl]acetic acid (CID 95454787) is 2-[2-[2-(dimethylamino)ethylamino]-6-fluorophenyl]acetic acid.
What is the SMILES notation for 2-[2-[2-(dimethylamino)ethylamino]-6-fluorophenyl]acetic acid?
The canonical SMILES for 2-[2-[2-(dimethylamino)ethylamino]-6-fluorophenyl]acetic acid is CN(C)CCNc1cccc(F)c1CC(=O)O.
What is the InChIKey of 2-[2-[2-(dimethylamino)ethylamino]-6-fluorophenyl]acetic acid?
The InChIKey is ROXODCGMEFTWFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2O2/c1-15(2)7-6-14-11-5-3-4-10(13)9(11)8-12(16)17/h3-5,14H,6-8H2,1-2H3,(H,16,17).
What are the key properties of 2-[2-[2-(dimethylamino)ethylamino]-6-fluorophenyl]acetic acid?
2-[2-[2-(dimethylamino)ethylamino]-6-fluorophenyl]acetic acid has a molecular weight of 240.28 g/mol, XLogP of 1.43, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(dimethylamino)ethylamino]-6-fluorophenyl]acetic acid is sourced from PubChem (CID 95454787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).