3-fluoro-2-[2-methoxyethyl(1-methoxypropan-2-yl)amino]benzoic acid

C14H20FNO4 — CID 62648719

IUPAC3-fluoro-2-[2-methoxyethyl(1-methoxypropan-2-yl)amino]benzoic acid
SMILESCOCCN(c1c(F)cccc1C(=O)O)C(C)COC
InChIInChI=1S/C14H20FNO4/c1-10(9-20-3)16(7-8-19-2)13-11(14(17)18)5-4-6-12(13)15/h4-6,10H,7-9H2,1-3H3,(H,17,18)
InChIKeyTUCQEZSPNYBBBC-UHFFFAOYSA-N
MW285.31 g/mol
LogP2.01
Rot. Bonds8

About 3-fluoro-2-[2-methoxyethyl(1-methoxypropan-2-yl)amino]benzoic acid

3-fluoro-2-[2-methoxyethyl(1-methoxypropan-2-yl)amino]benzoic acid (PubChem CID 62648719) has the molecular formula C14H20FNO4 and a molecular weight of 285.31 g/mol. Its IUPAC name is 3-fluoro-2-[2-methoxyethyl(1-methoxypropan-2-yl)amino]benzoic acid.

Molecular Properties

Compound Name3-fluoro-2-[2-methoxyethyl(1-methoxypropan-2-yl)amino]benzoic acid
PubChem CID62648719
Molecular FormulaC14H20FNO4
Molecular Weight285.31 g/mol
Exact Mass285.14
IUPAC Name3-fluoro-2-[2-methoxyethyl(1-methoxypropan-2-yl)amino]benzoic acid
SMILESCOCCN(c1c(F)cccc1C(=O)O)C(C)COC
InChIInChI=1S/C14H20FNO4/c1-10(9-20-3)16(7-8-19-2)13-11(14(17)18)5-4-6-12(13)15/h4-6,10H,7-9H2,1-3H3,(H,17,18)
InChIKeyTUCQEZSPNYBBBC-UHFFFAOYSA-N
XLogP2.01
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.31
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-fluoro-2-[2-methoxyethyl(2-methylpropyl)amino]benzoic acid
CID 55101867
2-[butan-2-yl(butyl)amino]-3-fluorobenzoic acid
CID 55223203
2-[butan-2-yl(methyl)amino]-3-fluorobenzoic acid
CID 62649994
2-[1-methoxypropan-2-yl(methyl)amino]-3-methylbenzoic acid
CID 107112082
1-[2-[2-methoxyethyl(1-methoxypropan-2-yl)amino]phenyl]propan-1-one
CID 115994582
4-[butan-2-yl(2-methoxyethyl)amino]-3,5-difluorobenzoic acid
CID 63077205
2-[1-cyclopropylethyl(2-methoxyethyl)amino]-3-methylbenzoic acid
CID 107112105
2-[(1S)-1-aminoethyl]-3-fluoro-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)aniline
CID 78935533
5-fluoro-2-[[2-methoxyethyl(1-methoxypropan-2-yl)amino]methyl]benzoic acid
CID 63292652
1-[2-[butan-2-yl(2-methoxyethyl)amino]-6-fluorophenyl]ethanone
CID 55000062
3-fluoro-2-(2-methoxyethoxy)benzoic acid
CID 62650952
2-fluoro-N-(1-methoxypropan-2-yl)-N-methylbenzamide
CID 60794014

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2-[2-methoxyethyl(1-methoxypropan-2-yl)amino]benzoic acid?
The IUPAC name of 3-fluoro-2-[2-methoxyethyl(1-methoxypropan-2-yl)amino]benzoic acid (CID 62648719) is 3-fluoro-2-[2-methoxyethyl(1-methoxypropan-2-yl)amino]benzoic acid.
What is the SMILES notation for 3-fluoro-2-[2-methoxyethyl(1-methoxypropan-2-yl)amino]benzoic acid?
The canonical SMILES for 3-fluoro-2-[2-methoxyethyl(1-methoxypropan-2-yl)amino]benzoic acid is COCCN(c1c(F)cccc1C(=O)O)C(C)COC.
What is the InChIKey of 3-fluoro-2-[2-methoxyethyl(1-methoxypropan-2-yl)amino]benzoic acid?
The InChIKey is TUCQEZSPNYBBBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO4/c1-10(9-20-3)16(7-8-19-2)13-11(14(17)18)5-4-6-12(13)15/h4-6,10H,7-9H2,1-3H3,(H,17,18).
What are the key properties of 3-fluoro-2-[2-methoxyethyl(1-methoxypropan-2-yl)amino]benzoic acid?
3-fluoro-2-[2-methoxyethyl(1-methoxypropan-2-yl)amino]benzoic acid has a molecular weight of 285.31 g/mol, XLogP of 2.01, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2-[2-methoxyethyl(1-methoxypropan-2-yl)amino]benzoic acid is sourced from PubChem (CID 62648719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).