3-[(4-fluorophenyl)methylamino]-4-methoxybenzoic acid

C15H14FNO3 — CID 17058964

IUPAC3-[(4-fluorophenyl)methylamino]-4-methoxybenzoic acid
SMILESCOc1ccc(C(=O)O)cc1NCc1ccc(F)cc1
InChIInChI=1S/C15H14FNO3/c1-20-14-7-4-11(15(18)19)8-13(14)17-9-10-2-5-12(16)6-3-10/h2-8,17H,9H2,1H3,(H,18,19)
InChIKeyUKTYKTCNJUCJLI-UHFFFAOYSA-N
MW275.28 g/mol
LogP3.14
Rot. Bonds5

About 3-[(4-fluorophenyl)methylamino]-4-methoxybenzoic acid

3-[(4-fluorophenyl)methylamino]-4-methoxybenzoic acid (PubChem CID 17058964) has the molecular formula C15H14FNO3 and a molecular weight of 275.28 g/mol. Its IUPAC name is 3-[(4-fluorophenyl)methylamino]-4-methoxybenzoic acid.

Molecular Properties

Compound Name3-[(4-fluorophenyl)methylamino]-4-methoxybenzoic acid
PubChem CID17058964
Molecular FormulaC15H14FNO3
Molecular Weight275.28 g/mol
Exact Mass275.10
IUPAC Name3-[(4-fluorophenyl)methylamino]-4-methoxybenzoic acid
SMILESCOc1ccc(C(=O)O)cc1NCc1ccc(F)cc1
InChIInChI=1S/C15H14FNO3/c1-20-14-7-4-11(15(18)19)8-13(14)17-9-10-2-5-12(16)6-3-10/h2-8,17H,9H2,1H3,(H,18,19)
InChIKeyUKTYKTCNJUCJLI-UHFFFAOYSA-N
XLogP3.14
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.28
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[4-(diethylamino)phenyl]methylamino]-4-methoxybenzoic acid
CID 17058715
4-[(5-chloro-2-methoxyanilino)methyl]benzoic acid
CID 39398714
4-chloro-3-[(4-fluorophenyl)methylamino]benzoic acid
CID 17058963
3-fluoro-4-[(4-fluorophenyl)methylamino]benzoic acid
CID 62710952
3-[(5-bromothiophen-3-yl)methylamino]-4-methoxybenzoic acid
CID 63742453
3-[[4-[2-(tert-butylamino)-2-oxoethoxy]-3-methoxyphenyl]methylamino]-4-methoxybenzoic acid
CID 17058704
3-[[3-bromo-4-[(4-fluorophenyl)methoxy]-5-methoxyphenyl]methylamino]-4-methylbenzoic acid
CID 17059406
2-[(4-fluorophenyl)methylamino]-4,6-dimethoxybenzoic acid
CID 162354068
4-[[5-(5,6-difluoro-1H-indol-2-yl)-2-methoxyanilino]methyl]benzoic acid
CID 22568441
3-[[2-[(2-fluorophenyl)methoxy]phenyl]methylamino]-4-methoxybenzoic acid
CID 17059187
3-[(2-methoxyanilino)methyl]benzoic acid
CID 75357537
3-[(5-ethylfuran-2-yl)methylamino]-4-methoxybenzoic acid
CID 63742283

Frequently Asked Questions

What is the IUPAC name of 3-[(4-fluorophenyl)methylamino]-4-methoxybenzoic acid?
The IUPAC name of 3-[(4-fluorophenyl)methylamino]-4-methoxybenzoic acid (CID 17058964) is 3-[(4-fluorophenyl)methylamino]-4-methoxybenzoic acid.
What is the SMILES notation for 3-[(4-fluorophenyl)methylamino]-4-methoxybenzoic acid?
The canonical SMILES for 3-[(4-fluorophenyl)methylamino]-4-methoxybenzoic acid is COc1ccc(C(=O)O)cc1NCc1ccc(F)cc1.
What is the InChIKey of 3-[(4-fluorophenyl)methylamino]-4-methoxybenzoic acid?
The InChIKey is UKTYKTCNJUCJLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FNO3/c1-20-14-7-4-11(15(18)19)8-13(14)17-9-10-2-5-12(16)6-3-10/h2-8,17H,9H2,1H3,(H,18,19).
What are the key properties of 3-[(4-fluorophenyl)methylamino]-4-methoxybenzoic acid?
3-[(4-fluorophenyl)methylamino]-4-methoxybenzoic acid has a molecular weight of 275.28 g/mol, XLogP of 3.14, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-fluorophenyl)methylamino]-4-methoxybenzoic acid is sourced from PubChem (CID 17058964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).