2-[[[6-(dimethylamino)-3-pyridinyl]amino]methyl]-6-methylphenol

C15H19N3O — CID 112553810

IUPAC2-[[[6-(dimethylamino)-3-pyridinyl]amino]methyl]-6-methylphenol
SMILESCc1cccc(CNc2ccc(N(C)C)nc2)c1O
InChIInChI=1S/C15H19N3O/c1-11-5-4-6-12(15(11)19)9-16-13-7-8-14(17-10-13)18(2)3/h4-8,10,16,19H,9H2,1-3H3
InChIKeyAAZBEQYLBJFGLD-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.77
Rot. Bonds4

About 2-[[[6-(dimethylamino)-3-pyridinyl]amino]methyl]-6-methylphenol

2-[[[6-(dimethylamino)-3-pyridinyl]amino]methyl]-6-methylphenol (PubChem CID 112553810) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is 2-[[[6-(dimethylamino)-3-pyridinyl]amino]methyl]-6-methylphenol.

Molecular Properties

Compound Name2-[[[6-(dimethylamino)-3-pyridinyl]amino]methyl]-6-methylphenol
PubChem CID112553810
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name2-[[[6-(dimethylamino)-3-pyridinyl]amino]methyl]-6-methylphenol
SMILESCc1cccc(CNc2ccc(N(C)C)nc2)c1O
InChIInChI=1S/C15H19N3O/c1-11-5-4-6-12(15(11)19)9-16-13-7-8-14(17-10-13)18(2)3/h4-8,10,16,19H,9H2,1-3H3
InChIKeyAAZBEQYLBJFGLD-UHFFFAOYSA-N
XLogP2.77
TPSA48.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

2-[[[6-(dimethylamino)-3-pyridinyl]amino]methyl]-6-methoxyphenol
CID 43690589
5-N-(isoquinolin-5-ylmethyl)-2-N,2-N-dimethylpyridine-2,5-diamine
CID 62823715
4-[[[6-(dimethylamino)-3-pyridinyl]amino]methyl]phenol
CID 43690428
2-[[4-(diethylamino)anilino]methyl]-6-methylphenol
CID 115904064
5-N-(2,3-dihydro-1H-indol-7-ylmethyl)-2-N,2-N-dimethylpyridine-2,5-diamine
CID 80648539
5-N-[(2,5-dimethylthiophen-3-yl)methyl]-2-N,2-N-dimethylpyridine-2,5-diamine
CID 54977767
5-N-[(2,4-difluorophenyl)methyl]-2-N,2-N-dimethylpyridine-2,5-diamine
CID 43690440
2-N,2-N-dimethyl-5-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyridine-2,5-diamine
CID 115748558
2-methyl-6-[[4-methyl-3-(trifluoromethyl)anilino]methyl]phenol
CID 115951655
2-methyl-6-[[3-(1,2,4-triazol-4-yl)anilino]methyl]phenol
CID 115904248
2-methyl-6-[[(4-methylpyrimidin-2-yl)amino]methyl]phenol
CID 82681088
2-[(3-bromo-4-iodoanilino)methyl]-6-methylphenol
CID 114261908

Frequently Asked Questions

What is the IUPAC name of 2-[[[6-(dimethylamino)-3-pyridinyl]amino]methyl]-6-methylphenol?
The IUPAC name of 2-[[[6-(dimethylamino)-3-pyridinyl]amino]methyl]-6-methylphenol (CID 112553810) is 2-[[[6-(dimethylamino)-3-pyridinyl]amino]methyl]-6-methylphenol.
What is the SMILES notation for 2-[[[6-(dimethylamino)-3-pyridinyl]amino]methyl]-6-methylphenol?
The canonical SMILES for 2-[[[6-(dimethylamino)-3-pyridinyl]amino]methyl]-6-methylphenol is Cc1cccc(CNc2ccc(N(C)C)nc2)c1O.
What is the InChIKey of 2-[[[6-(dimethylamino)-3-pyridinyl]amino]methyl]-6-methylphenol?
The InChIKey is AAZBEQYLBJFGLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-11-5-4-6-12(15(11)19)9-16-13-7-8-14(17-10-13)18(2)3/h4-8,10,16,19H,9H2,1-3H3.
What are the key properties of 2-[[[6-(dimethylamino)-3-pyridinyl]amino]methyl]-6-methylphenol?
2-[[[6-(dimethylamino)-3-pyridinyl]amino]methyl]-6-methylphenol has a molecular weight of 257.34 g/mol, XLogP of 2.77, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[[6-(dimethylamino)-3-pyridinyl]amino]methyl]-6-methylphenol is sourced from PubChem (CID 112553810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).