4-(ethylamino)-3-fluorobenzoic acid

C9H10FNO2 — CID 62711804

IUPAC4-(ethylamino)-3-fluorobenzoic acid
SMILESCCNc1ccc(C(=O)O)cc1F
InChIInChI=1S/C9H10FNO2/c1-2-11-8-4-3-6(9(12)13)5-7(8)10/h3-5,11H,2H2,1H3,(H,12,13)
InChIKeyVREUEJRLXFVKGA-UHFFFAOYSA-N
MW183.18 g/mol
LogP1.96
Rot. Bonds3

About 4-(ethylamino)-3-fluorobenzoic acid

4-(ethylamino)-3-fluorobenzoic acid (PubChem CID 62711804) has the molecular formula C9H10FNO2 and a molecular weight of 183.18 g/mol. Its IUPAC name is 4-(ethylamino)-3-fluorobenzoic acid.

Molecular Properties

Compound Name4-(ethylamino)-3-fluorobenzoic acid
PubChem CID62711804
Molecular FormulaC9H10FNO2
Molecular Weight183.18 g/mol
Exact Mass183.07
IUPAC Name4-(ethylamino)-3-fluorobenzoic acid
SMILESCCNc1ccc(C(=O)O)cc1F
InChIInChI=1S/C9H10FNO2/c1-2-11-8-4-3-6(9(12)13)5-7(8)10/h3-5,11H,2H2,1H3,(H,12,13)
InChIKeyVREUEJRLXFVKGA-UHFFFAOYSA-N
XLogP1.96
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.18
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[[2-(dimethylamino)-2-methylpropyl]amino]-3-fluorobenzoic acid
CID 62711868
4-(benzylamino)-3-fluorobenzoic acid
CID 62711973
4-[[2-(ethylamino)acetyl]amino]-3-fluorobenzoic acid
CID 63187790
3-fluoro-4-[(4-fluorophenyl)methylamino]benzoic acid
CID 62710952
3-fluoro-4-(4-methoxybutylamino)benzoic acid
CID 62710161
4-[(1-ethylcyclobutyl)methylamino]-3-fluorobenzoic acid
CID 114109711
4-(2-ethylhexylamino)-3-fluorobenzoic acid
CID 114004413
3-fluoro-4-[(1-methylcyclopentyl)methylamino]benzoic acid
CID 63831279
4-[[(2S)-2-aminobutanoyl]amino]-3-fluorobenzoic acid
CID 79023474
5-(ethylamino)-2,4-difluorobenzoic acid
CID 43737186
3-fluoro-4-[(2-methylcyclohexyl)methylamino]benzoic acid
CID 63511861
3-fluoro-4-[(6-methyl-2-pyridinyl)methylamino]benzoic acid
CID 62711146

Frequently Asked Questions

What is the IUPAC name of 4-(ethylamino)-3-fluorobenzoic acid?
The IUPAC name of 4-(ethylamino)-3-fluorobenzoic acid (CID 62711804) is 4-(ethylamino)-3-fluorobenzoic acid.
What is the SMILES notation for 4-(ethylamino)-3-fluorobenzoic acid?
The canonical SMILES for 4-(ethylamino)-3-fluorobenzoic acid is CCNc1ccc(C(=O)O)cc1F.
What is the InChIKey of 4-(ethylamino)-3-fluorobenzoic acid?
The InChIKey is VREUEJRLXFVKGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10FNO2/c1-2-11-8-4-3-6(9(12)13)5-7(8)10/h3-5,11H,2H2,1H3,(H,12,13).
What are the key properties of 4-(ethylamino)-3-fluorobenzoic acid?
4-(ethylamino)-3-fluorobenzoic acid has a molecular weight of 183.18 g/mol, XLogP of 1.96, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(ethylamino)-3-fluorobenzoic acid is sourced from PubChem (CID 62711804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).