1-[2-amino-4-[methyl(pyridin-2-ylmethyl)amino]phenyl]ethanone

C15H17N3O — CID 104528407

IUPAC1-[2-amino-4-[methyl(pyridin-2-ylmethyl)amino]phenyl]ethanone
SMILESCC(=O)c1ccc(N(C)Cc2ccccn2)cc1N
InChIInChI=1S/C15H17N3O/c1-11(19)14-7-6-13(9-15(14)16)18(2)10-12-5-3-4-8-17-12/h3-9H,10,16H2,1-2H3
InChIKeyLMMOFNNGNLQFFT-UHFFFAOYSA-N
MW255.32 g/mol
LogP2.50
Rot. Bonds4

About 1-[2-amino-4-[methyl(pyridin-2-ylmethyl)amino]phenyl]ethanone

1-[2-amino-4-[methyl(pyridin-2-ylmethyl)amino]phenyl]ethanone (PubChem CID 104528407) has the molecular formula C15H17N3O and a molecular weight of 255.32 g/mol. Its IUPAC name is 1-[2-amino-4-[methyl(pyridin-2-ylmethyl)amino]phenyl]ethanone.

Molecular Properties

Compound Name1-[2-amino-4-[methyl(pyridin-2-ylmethyl)amino]phenyl]ethanone
PubChem CID104528407
Molecular FormulaC15H17N3O
Molecular Weight255.32 g/mol
Exact Mass255.14
IUPAC Name1-[2-amino-4-[methyl(pyridin-2-ylmethyl)amino]phenyl]ethanone
SMILESCC(=O)c1ccc(N(C)Cc2ccccn2)cc1N
InChIInChI=1S/C15H17N3O/c1-11(19)14-7-6-13(9-15(14)16)18(2)10-12-5-3-4-8-17-12/h3-9H,10,16H2,1-2H3
InChIKeyLMMOFNNGNLQFFT-UHFFFAOYSA-N
XLogP2.50
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[4-[methyl(pyridin-2-ylmethyl)amino]-2-nitrophenyl]ethanone
CID 104529552
2-amino-4-[methyl(2-pyridin-2-ylethyl)amino]benzoic acid
CID 104500194
4-[methyl(pyridin-2-ylmethyl)amino]pyridine-2-carboxamide
CID 171327108
1-[2-amino-4-[(4-fluorophenyl)methyl-methylamino]phenyl]ethanone
CID 104528417
2-amino-5-[methyl(2-pyridin-2-ylethyl)amino]benzamide
CID 61306751
2-amino-4-[methyl(1,3-thiazol-4-ylmethyl)amino]benzoic acid
CID 104500473
[2-chloro-4-[methyl(pyridin-2-ylmethyl)amino]phenyl]methanol
CID 114064232
1-[2-amino-5-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]phenyl]ethanone
CID 104612411
1-[3-amino-5-[methyl(pyridin-2-ylmethyl)amino]thiophen-2-yl]propan-1-one
CID 103509028
1-[5-chloro-2-hydroxy-3-[[methyl(pyridin-2-ylmethyl)amino]methyl]phenyl]ethanone
CID 62051425
3-amino-N-methyl-4-[methyl(pyridin-2-ylmethyl)amino]benzamide
CID 82988706
6-methyl-4-[methyl(pyridin-2-ylmethyl)amino]pyridine-3-carboxylic acid
CID 81232216

Frequently Asked Questions

What is the IUPAC name of 1-[2-amino-4-[methyl(pyridin-2-ylmethyl)amino]phenyl]ethanone?
The IUPAC name of 1-[2-amino-4-[methyl(pyridin-2-ylmethyl)amino]phenyl]ethanone (CID 104528407) is 1-[2-amino-4-[methyl(pyridin-2-ylmethyl)amino]phenyl]ethanone.
What is the SMILES notation for 1-[2-amino-4-[methyl(pyridin-2-ylmethyl)amino]phenyl]ethanone?
The canonical SMILES for 1-[2-amino-4-[methyl(pyridin-2-ylmethyl)amino]phenyl]ethanone is CC(=O)c1ccc(N(C)Cc2ccccn2)cc1N.
What is the InChIKey of 1-[2-amino-4-[methyl(pyridin-2-ylmethyl)amino]phenyl]ethanone?
The InChIKey is LMMOFNNGNLQFFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O/c1-11(19)14-7-6-13(9-15(14)16)18(2)10-12-5-3-4-8-17-12/h3-9H,10,16H2,1-2H3.
What are the key properties of 1-[2-amino-4-[methyl(pyridin-2-ylmethyl)amino]phenyl]ethanone?
1-[2-amino-4-[methyl(pyridin-2-ylmethyl)amino]phenyl]ethanone has a molecular weight of 255.32 g/mol, XLogP of 2.50, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-amino-4-[methyl(pyridin-2-ylmethyl)amino]phenyl]ethanone is sourced from PubChem (CID 104528407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).