2-amino-5-[(2-fluorophenyl)methyl-methylamino]benzoic acid

C15H15FN2O2 — CID 61413060

IUPAC2-amino-5-[(2-fluorophenyl)methyl-methylamino]benzoic acid
SMILESCN(Cc1ccccc1F)c1ccc(N)c(C(=O)O)c1
InChIInChI=1S/C15H15FN2O2/c1-18(9-10-4-2-3-5-13(10)16)11-6-7-14(17)12(8-11)15(19)20/h2-8H,9,17H2,1H3,(H,19,20)
InChIKeySMVOGOXKOKSTKY-UHFFFAOYSA-N
MW274.30 g/mol
LogP2.74
Rot. Bonds4

About 2-amino-5-[(2-fluorophenyl)methyl-methylamino]benzoic acid

2-amino-5-[(2-fluorophenyl)methyl-methylamino]benzoic acid (PubChem CID 61413060) has the molecular formula C15H15FN2O2 and a molecular weight of 274.30 g/mol. Its IUPAC name is 2-amino-5-[(2-fluorophenyl)methyl-methylamino]benzoic acid.

Molecular Properties

Compound Name2-amino-5-[(2-fluorophenyl)methyl-methylamino]benzoic acid
PubChem CID61413060
Molecular FormulaC15H15FN2O2
Molecular Weight274.30 g/mol
Exact Mass274.11
IUPAC Name2-amino-5-[(2-fluorophenyl)methyl-methylamino]benzoic acid
SMILESCN(Cc1ccccc1F)c1ccc(N)c(C(=O)O)c1
InChIInChI=1S/C15H15FN2O2/c1-18(9-10-4-2-3-5-13(10)16)11-6-7-14(17)12(8-11)15(19)20/h2-8H,9,17H2,1H3,(H,19,20)
InChIKeySMVOGOXKOKSTKY-UHFFFAOYSA-N
XLogP2.74
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.30
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[(2-fluorophenyl)methyl-methylamino]benzoic acid
CID 39359993
2-ethoxy-4-N-[(2-fluorophenyl)methyl]-4-N-methylbenzene-1,4-diamine
CID 63672171
2-[2-amino-5-[(2-fluorophenyl)methyl-methylamino]phenyl]acetonitrile
CID 102623910
7-[(2-fluorophenyl)methyl-methylamino]-2-oxochromene-3-carboxylic acid
CID 121295069
3-N-[(2-fluorophenyl)methyl]-3-N-methylbenzene-1,3-diamine
CID 39247780
4-N-[(2-bromophenyl)methyl]-2-fluoro-4-N-methylbenzene-1,4-diamine
CID 115123939
1-[2-amino-5-[(2-methoxyphenyl)methyl-methylamino]phenyl]ethanone
CID 104612473
2-amino-5-(dibenzylamino)benzoic acid
CID 91288703
3-bromo-4-[(2-fluorophenyl)methyl-methylamino]benzoic acid
CID 82801528
6-chloro-2-[(2-fluorophenyl)methyl-methylamino]pyridine-3-carboxylic acid
CID 63379855
2-fluoro-3-[(N-methylanilino)methyl]benzoic acid
CID 107119323
5-[(2,3-dimethoxyphenyl)methyl-[(2-fluorophenyl)methyl]amino]-2-methoxybenzoic acid
CID 10387690

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-[(2-fluorophenyl)methyl-methylamino]benzoic acid?
The IUPAC name of 2-amino-5-[(2-fluorophenyl)methyl-methylamino]benzoic acid (CID 61413060) is 2-amino-5-[(2-fluorophenyl)methyl-methylamino]benzoic acid.
What is the SMILES notation for 2-amino-5-[(2-fluorophenyl)methyl-methylamino]benzoic acid?
The canonical SMILES for 2-amino-5-[(2-fluorophenyl)methyl-methylamino]benzoic acid is CN(Cc1ccccc1F)c1ccc(N)c(C(=O)O)c1.
What is the InChIKey of 2-amino-5-[(2-fluorophenyl)methyl-methylamino]benzoic acid?
The InChIKey is SMVOGOXKOKSTKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2O2/c1-18(9-10-4-2-3-5-13(10)16)11-6-7-14(17)12(8-11)15(19)20/h2-8H,9,17H2,1H3,(H,19,20).
What are the key properties of 2-amino-5-[(2-fluorophenyl)methyl-methylamino]benzoic acid?
2-amino-5-[(2-fluorophenyl)methyl-methylamino]benzoic acid has a molecular weight of 274.30 g/mol, XLogP of 2.74, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-[(2-fluorophenyl)methyl-methylamino]benzoic acid is sourced from PubChem (CID 61413060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).