2-(dimethylamino)ethyl 5-amino-2-fluorobenzoate

C11H15FN2O2 — CID 61314304

IUPAC2-(dimethylamino)ethyl 5-amino-2-fluorobenzoate
SMILESCN(C)CCOC(=O)c1cc(N)ccc1F
InChIInChI=1S/C11H15FN2O2/c1-14(2)5-6-16-11(15)9-7-8(13)3-4-10(9)12/h3-4,7H,5-6,13H2,1-2H3
InChIKeyDFPIVBBZKXABKT-UHFFFAOYSA-N
MW226.25 g/mol
LogP1.13
Rot. Bonds4

About 2-(dimethylamino)ethyl 5-amino-2-fluorobenzoate

2-(dimethylamino)ethyl 5-amino-2-fluorobenzoate (PubChem CID 61314304) has the molecular formula C11H15FN2O2 and a molecular weight of 226.25 g/mol. Its IUPAC name is 2-(dimethylamino)ethyl 5-amino-2-fluorobenzoate.

Molecular Properties

Compound Name2-(dimethylamino)ethyl 5-amino-2-fluorobenzoate
PubChem CID61314304
Molecular FormulaC11H15FN2O2
Molecular Weight226.25 g/mol
Exact Mass226.11
IUPAC Name2-(dimethylamino)ethyl 5-amino-2-fluorobenzoate
SMILESCN(C)CCOC(=O)c1cc(N)ccc1F
InChIInChI=1S/C11H15FN2O2/c1-14(2)5-6-16-11(15)9-7-8(13)3-4-10(9)12/h3-4,7H,5-6,13H2,1-2H3
InChIKeyDFPIVBBZKXABKT-UHFFFAOYSA-N
XLogP1.13
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.25
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-(dimethylamino)propyl 5-amino-2-fluorobenzoate
CID 114526431
2-fluoroethyl 5-amino-2-fluorobenzoate
CID 80694649
2-(dimethylamino)ethyl 2-fluorobenzoate
CID 3546835
5-hydroxypentyl 5-amino-2-fluorobenzoate
CID 62227358
2-(5-amino-2-fluorobenzoyl)oxyacetic acid
CID 61314863
(2-methoxy-2-oxoethyl) 5-amino-2-fluorobenzoate
CID 61317152
[2-(diethylamino)-2-oxoethyl] 5-amino-2-fluorobenzoate
CID 61317153
2-(dimethylamino)ethyl 5-amino-2-bromo-4-fluorobenzoate
CID 62814937
2-(4-methylpiperazin-1-yl)ethyl 5-amino-2-fluorobenzoate
CID 82891975
[2-(methylamino)-2-oxoethyl] 5-amino-2-fluorobenzoate
CID 60729893
(5-fluoro-2-methylphenyl)methyl 5-amino-2-fluorobenzoate
CID 105374630
2-fluoroethyl 5-amino-2-(dimethylamino)benzoate
CID 80695629

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)ethyl 5-amino-2-fluorobenzoate?
The IUPAC name of 2-(dimethylamino)ethyl 5-amino-2-fluorobenzoate (CID 61314304) is 2-(dimethylamino)ethyl 5-amino-2-fluorobenzoate.
What is the SMILES notation for 2-(dimethylamino)ethyl 5-amino-2-fluorobenzoate?
The canonical SMILES for 2-(dimethylamino)ethyl 5-amino-2-fluorobenzoate is CN(C)CCOC(=O)c1cc(N)ccc1F.
What is the InChIKey of 2-(dimethylamino)ethyl 5-amino-2-fluorobenzoate?
The InChIKey is DFPIVBBZKXABKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FN2O2/c1-14(2)5-6-16-11(15)9-7-8(13)3-4-10(9)12/h3-4,7H,5-6,13H2,1-2H3.
What are the key properties of 2-(dimethylamino)ethyl 5-amino-2-fluorobenzoate?
2-(dimethylamino)ethyl 5-amino-2-fluorobenzoate has a molecular weight of 226.25 g/mol, XLogP of 1.13, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)ethyl 5-amino-2-fluorobenzoate is sourced from PubChem (CID 61314304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).