2-[[[2-(dimethylamino)-3-pyridinyl]amino]methyl]-5-methoxyphenol

C15H19N3O2 — CID 61263441

IUPAC2-[[[2-(dimethylamino)-3-pyridinyl]amino]methyl]-5-methoxyphenol
SMILESCOc1ccc(CNc2cccnc2N(C)C)c(O)c1
InChIInChI=1S/C15H19N3O2/c1-18(2)15-13(5-4-8-16-15)17-10-11-6-7-12(20-3)9-14(11)19/h4-9,17,19H,10H2,1-3H3
InChIKeyKQZYJAWXYJMFSN-UHFFFAOYSA-N
MW273.34 g/mol
LogP2.47
Rot. Bonds5

About 2-[[[2-(dimethylamino)-3-pyridinyl]amino]methyl]-5-methoxyphenol

2-[[[2-(dimethylamino)-3-pyridinyl]amino]methyl]-5-methoxyphenol (PubChem CID 61263441) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is 2-[[[2-(dimethylamino)-3-pyridinyl]amino]methyl]-5-methoxyphenol.

Molecular Properties

Compound Name2-[[[2-(dimethylamino)-3-pyridinyl]amino]methyl]-5-methoxyphenol
PubChem CID61263441
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name2-[[[2-(dimethylamino)-3-pyridinyl]amino]methyl]-5-methoxyphenol
SMILESCOc1ccc(CNc2cccnc2N(C)C)c(O)c1
InChIInChI=1S/C15H19N3O2/c1-18(2)15-13(5-4-8-16-15)17-10-11-6-7-12(20-3)9-14(11)19/h4-9,17,19H,10H2,1-3H3
InChIKeyKQZYJAWXYJMFSN-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

5-methoxy-2-[(quinolin-8-ylamino)methyl]phenol
CID 61268574
methyl 2-[[[2-(dimethylamino)-3-pyridinyl]amino]methyl]benzoate
CID 43784170
3-N-[(2-ethylphenyl)methyl]-2-N,2-N-dimethylpyridine-2,3-diamine
CID 55067063
3-N-[(2-chloro-4-fluorophenyl)methyl]-2-N,2-N-dimethylpyridine-2,3-diamine
CID 103096855
2-[(2,4-dimethoxyanilino)methyl]-5-methoxyphenol
CID 61268572
3-N-[(4-chloro-2-methylphenyl)methyl]-2-N,2-N-dimethylpyridine-2,3-diamine
CID 103275724
5-methoxy-2-[[(3-methyl-2-pyridinyl)methylamino]methyl]phenol
CID 55203662
3-N-[(2,3-dichlorophenyl)methyl]-2-N,2-N-dimethylpyridine-2,3-diamine
CID 43707640
2-[(2,5-dimethylanilino)methyl]-5-methoxyphenol
CID 61267847
2-[(2,4-dibromoanilino)methyl]-5-methoxyphenol
CID 61263805
5-methoxy-2-[(pyridin-1-ium-2-ylamino)methyl]phenol
CID 7282837
2-[[(2-methyl-3-pyridinyl)amino]methyl]phenol
CID 79042521

Frequently Asked Questions

What is the IUPAC name of 2-[[[2-(dimethylamino)-3-pyridinyl]amino]methyl]-5-methoxyphenol?
The IUPAC name of 2-[[[2-(dimethylamino)-3-pyridinyl]amino]methyl]-5-methoxyphenol (CID 61263441) is 2-[[[2-(dimethylamino)-3-pyridinyl]amino]methyl]-5-methoxyphenol.
What is the SMILES notation for 2-[[[2-(dimethylamino)-3-pyridinyl]amino]methyl]-5-methoxyphenol?
The canonical SMILES for 2-[[[2-(dimethylamino)-3-pyridinyl]amino]methyl]-5-methoxyphenol is COc1ccc(CNc2cccnc2N(C)C)c(O)c1.
What is the InChIKey of 2-[[[2-(dimethylamino)-3-pyridinyl]amino]methyl]-5-methoxyphenol?
The InChIKey is KQZYJAWXYJMFSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-18(2)15-13(5-4-8-16-15)17-10-11-6-7-12(20-3)9-14(11)19/h4-9,17,19H,10H2,1-3H3.
What are the key properties of 2-[[[2-(dimethylamino)-3-pyridinyl]amino]methyl]-5-methoxyphenol?
2-[[[2-(dimethylamino)-3-pyridinyl]amino]methyl]-5-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-[[[2-(dimethylamino)-3-pyridinyl]amino]methyl]-5-methoxyphenol is sourced from PubChem (CID 61263441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).