4-[(2-fluorophenyl)methyl-methylamino]benzoic acid

C15H14FNO2 — CID 39359993

IUPAC4-[(2-fluorophenyl)methyl-methylamino]benzoic acid
SMILESCN(Cc1ccccc1F)c1ccc(C(=O)O)cc1
InChIInChI=1S/C15H14FNO2/c1-17(10-12-4-2-3-5-14(12)16)13-8-6-11(7-9-13)15(18)19/h2-9H,10H2,1H3,(H,18,19)
InChIKeyTZDLTLAGGLVASA-UHFFFAOYSA-N
MW259.28 g/mol
LogP3.16
Rot. Bonds4

About 4-[(2-fluorophenyl)methyl-methylamino]benzoic acid

4-[(2-fluorophenyl)methyl-methylamino]benzoic acid (PubChem CID 39359993) has the molecular formula C15H14FNO2 and a molecular weight of 259.28 g/mol. Its IUPAC name is 4-[(2-fluorophenyl)methyl-methylamino]benzoic acid.

Molecular Properties

Compound Name4-[(2-fluorophenyl)methyl-methylamino]benzoic acid
PubChem CID39359993
Molecular FormulaC15H14FNO2
Molecular Weight259.28 g/mol
Exact Mass259.10
IUPAC Name4-[(2-fluorophenyl)methyl-methylamino]benzoic acid
SMILESCN(Cc1ccccc1F)c1ccc(C(=O)O)cc1
InChIInChI=1S/C15H14FNO2/c1-17(10-12-4-2-3-5-14(12)16)13-8-6-11(7-9-13)15(18)19/h2-9H,10H2,1H3,(H,18,19)
InChIKeyTZDLTLAGGLVASA-UHFFFAOYSA-N
XLogP3.16
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.28
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-[(2-fluorophenyl)methyl-methylamino]benzoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[[2-(2-fluorophenyl)acetyl]-methylamino]benzoic acid
CID 104698060
2-amino-5-[(2-fluorophenyl)methyl-methylamino]benzoic acid
CID 61413060
3-bromo-4-[(2-fluorophenyl)methyl-methylamino]benzoic acid
CID 82801528
4-[(2-fluorophenyl)methyl-methylamino]benzaldehyde
CID 61412166
2-fluoro-3-[(N-methylanilino)methyl]benzoic acid
CID 107119323
(2-fluorophenyl)methyl-methylcarbamic acid
CID 115171049
N-[(2-fluorophenyl)methyl]-N-methylbenzamide
CID 60628244
7-[(2-fluorophenyl)methyl-methylamino]-2-oxochromene-3-carboxylic acid
CID 121295069
6-chloro-2-[(2-fluorophenyl)methyl-methylamino]pyridine-3-carboxylic acid
CID 63379855
N-[(2-fluorophenyl)methyl]-N-methylcarbamoyl chloride
CID 79886378
4-(dimethylamino)benzoic acid;2-ethylbenzoic acid
CID 159516213
4-methoxy-3-[(N-methylanilino)methyl]benzoic acid
CID 62016912

Frequently Asked Questions

What is the IUPAC name of 4-[(2-fluorophenyl)methyl-methylamino]benzoic acid?
The IUPAC name of 4-[(2-fluorophenyl)methyl-methylamino]benzoic acid (CID 39359993) is 4-[(2-fluorophenyl)methyl-methylamino]benzoic acid.
What is the SMILES notation for 4-[(2-fluorophenyl)methyl-methylamino]benzoic acid?
The canonical SMILES for 4-[(2-fluorophenyl)methyl-methylamino]benzoic acid is CN(Cc1ccccc1F)c1ccc(C(=O)O)cc1.
What is the InChIKey of 4-[(2-fluorophenyl)methyl-methylamino]benzoic acid?
The InChIKey is TZDLTLAGGLVASA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FNO2/c1-17(10-12-4-2-3-5-14(12)16)13-8-6-11(7-9-13)15(18)19/h2-9H,10H2,1H3,(H,18,19).
What are the key properties of 4-[(2-fluorophenyl)methyl-methylamino]benzoic acid?
4-[(2-fluorophenyl)methyl-methylamino]benzoic acid has a molecular weight of 259.28 g/mol, XLogP of 3.16, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-fluorophenyl)methyl-methylamino]benzoic acid is sourced from PubChem (CID 39359993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).