2-amino-4-[methyl(2-pyridin-2-ylethyl)amino]benzoic acid

C15H17N3O2 — CID 104500194

IUPAC2-amino-4-[methyl(2-pyridin-2-ylethyl)amino]benzoic acid
SMILESCN(CCc1ccccn1)c1ccc(C(=O)O)c(N)c1
InChIInChI=1S/C15H17N3O2/c1-18(9-7-11-4-2-3-8-17-11)12-5-6-13(15(19)20)14(16)10-12/h2-6,8,10H,7,9,16H2,1H3,(H,19,20)
InChIKeyBBMVFZAVNQZGKA-UHFFFAOYSA-N
MW271.32 g/mol
LogP2.04
Rot. Bonds5

About 2-amino-4-[methyl(2-pyridin-2-ylethyl)amino]benzoic acid

2-amino-4-[methyl(2-pyridin-2-ylethyl)amino]benzoic acid (PubChem CID 104500194) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is 2-amino-4-[methyl(2-pyridin-2-ylethyl)amino]benzoic acid.

Molecular Properties

Compound Name2-amino-4-[methyl(2-pyridin-2-ylethyl)amino]benzoic acid
PubChem CID104500194
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC Name2-amino-4-[methyl(2-pyridin-2-ylethyl)amino]benzoic acid
SMILESCN(CCc1ccccn1)c1ccc(C(=O)O)c(N)c1
InChIInChI=1S/C15H17N3O2/c1-18(9-7-11-4-2-3-8-17-11)12-5-6-13(15(19)20)14(16)10-12/h2-6,8,10H,7,9,16H2,1H3,(H,19,20)
InChIKeyBBMVFZAVNQZGKA-UHFFFAOYSA-N
XLogP2.04
TPSA79.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-amino-5-[methyl(2-pyridin-2-ylethyl)amino]benzamide
CID 61306751
1-[2-amino-4-[methyl(pyridin-2-ylmethyl)amino]phenyl]ethanone
CID 104528407
3-[methyl(2-pyridin-2-ylethyl)amino]benzoic acid
CID 102822634
4-N-methyl-2-propoxy-4-N-(2-pyridin-2-ylethyl)benzene-1,4-diamine
CID 63671602
4-(2-aminoethyl)-N,3-dimethyl-N-(2-pyridin-2-ylethyl)aniline
CID 63784236
4-(2-aminoethyl)-N-methyl-N-(2-pyridin-2-ylethyl)aniline
CID 63784582
3-bromo-4-[methyl(2-pyridin-2-ylethyl)amino]benzoic acid
CID 82800570
5-methoxy-3-N-methyl-3-N-(2-pyridin-2-ylethyl)benzene-1,3-diamine
CID 80725603
N-methyl-2-pyridin-2-yl-N-(pyridin-2-ylmethyl)ethanamine;oxalic acid
CID 2845946
2-[methyl(2-pyridin-2-ylethyl)amino]-2-oxoacetic acid
CID 43445021
2-amino-5-(2-pyridin-2-ylethoxy)benzoic acid
CID 60988228
2-fluoro-6-[methyl(2-pyridin-2-ylethyl)amino]benzoic acid
CID 79522521

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-[methyl(2-pyridin-2-ylethyl)amino]benzoic acid?
The IUPAC name of 2-amino-4-[methyl(2-pyridin-2-ylethyl)amino]benzoic acid (CID 104500194) is 2-amino-4-[methyl(2-pyridin-2-ylethyl)amino]benzoic acid.
What is the SMILES notation for 2-amino-4-[methyl(2-pyridin-2-ylethyl)amino]benzoic acid?
The canonical SMILES for 2-amino-4-[methyl(2-pyridin-2-ylethyl)amino]benzoic acid is CN(CCc1ccccn1)c1ccc(C(=O)O)c(N)c1.
What is the InChIKey of 2-amino-4-[methyl(2-pyridin-2-ylethyl)amino]benzoic acid?
The InChIKey is BBMVFZAVNQZGKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2/c1-18(9-7-11-4-2-3-8-17-11)12-5-6-13(15(19)20)14(16)10-12/h2-6,8,10H,7,9,16H2,1H3,(H,19,20).
What are the key properties of 2-amino-4-[methyl(2-pyridin-2-ylethyl)amino]benzoic acid?
2-amino-4-[methyl(2-pyridin-2-ylethyl)amino]benzoic acid has a molecular weight of 271.32 g/mol, XLogP of 2.04, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-[methyl(2-pyridin-2-ylethyl)amino]benzoic acid is sourced from PubChem (CID 104500194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).