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

C15H19N3O2 — CID 43690589

IUPAC2-[[[6-(dimethylamino)-3-pyridinyl]amino]methyl]-6-methoxyphenol
SMILESCOc1cccc(CNc2ccc(N(C)C)nc2)c1O
InChIInChI=1S/C15H19N3O2/c1-18(2)14-8-7-12(10-17-14)16-9-11-5-4-6-13(20-3)15(11)19/h4-8,10,16,19H,9H2,1-3H3
InChIKeyXGGJTKJCCOUESA-UHFFFAOYSA-N
MW273.34 g/mol
LogP2.47
Rot. Bonds5

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

2-[[[6-(dimethylamino)-3-pyridinyl]amino]methyl]-6-methoxyphenol (PubChem CID 43690589) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is 2-[[[6-(dimethylamino)-3-pyridinyl]amino]methyl]-6-methoxyphenol.

Molecular Properties

Compound Name2-[[[6-(dimethylamino)-3-pyridinyl]amino]methyl]-6-methoxyphenol
PubChem CID43690589
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name2-[[[6-(dimethylamino)-3-pyridinyl]amino]methyl]-6-methoxyphenol
SMILESCOc1cccc(CNc2ccc(N(C)C)nc2)c1O
InChIInChI=1S/C15H19N3O2/c1-18(2)14-8-7-12(10-17-14)16-9-11-5-4-6-13(20-3)15(11)19/h4-8,10,16,19H,9H2,1-3H3
InChIKeyXGGJTKJCCOUESA-UHFFFAOYSA-N
XLogP2.47
TPSA57.62 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-methylphenol
CID 112553810
2-[[4-(dimethylamino)anilino]methyl]-6-methoxyphenol
CID 43616982
5-N-[(3-methoxyphenyl)methyl]-2-N,2-N-dimethylpyridine-2,5-diamine
CID 43690444
2-methoxy-6-[(thiophen-3-ylamino)methyl]phenol
CID 66351207
2-[[4-(difluoromethylsulfanyl)anilino]methyl]-6-methoxyphenol
CID 43673138
2-[[(3,6-dimethylpyrazin-2-yl)amino]methyl]-6-methoxyphenol
CID 133469932
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
1-[6-(dimethylamino)-3-pyridinyl]-3-(2-methoxyphenyl)thiourea
CID 75402437
5-N-(2,3-dihydro-1H-indol-7-ylmethyl)-2-N,2-N-dimethylpyridine-2,5-diamine
CID 80648539
2-[[(3,5-dibromo-2-pyridinyl)amino]methyl]-6-methoxyphenol
CID 662389
2-methoxy-6-[(3-methoxy-4-nitroanilino)methyl]phenol
CID 133448219

Frequently Asked Questions

What is the IUPAC name of 2-[[[6-(dimethylamino)-3-pyridinyl]amino]methyl]-6-methoxyphenol?
The IUPAC name of 2-[[[6-(dimethylamino)-3-pyridinyl]amino]methyl]-6-methoxyphenol (CID 43690589) is 2-[[[6-(dimethylamino)-3-pyridinyl]amino]methyl]-6-methoxyphenol.
What is the SMILES notation for 2-[[[6-(dimethylamino)-3-pyridinyl]amino]methyl]-6-methoxyphenol?
The canonical SMILES for 2-[[[6-(dimethylamino)-3-pyridinyl]amino]methyl]-6-methoxyphenol is COc1cccc(CNc2ccc(N(C)C)nc2)c1O.
What is the InChIKey of 2-[[[6-(dimethylamino)-3-pyridinyl]amino]methyl]-6-methoxyphenol?
The InChIKey is XGGJTKJCCOUESA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-18(2)14-8-7-12(10-17-14)16-9-11-5-4-6-13(20-3)15(11)19/h4-8,10,16,19H,9H2,1-3H3.
What are the key properties of 2-[[[6-(dimethylamino)-3-pyridinyl]amino]methyl]-6-methoxyphenol?
2-[[[6-(dimethylamino)-3-pyridinyl]amino]methyl]-6-methoxyphenol has a molecular weight of 273.34 g/mol, XLogP of 2.47, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[[6-(dimethylamino)-3-pyridinyl]amino]methyl]-6-methoxyphenol is sourced from PubChem (CID 43690589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).