6-[[5-[(dimethylamino)methyl]-2-methoxyanilino]methyl]pyridin-3-ol

C16H21N3O2 — CID 79782269

IUPAC6-[[5-[(dimethylamino)methyl]-2-methoxyanilino]methyl]pyridin-3-ol
SMILESCOc1ccc(CN(C)C)cc1NCc1ccc(O)cn1
InChIInChI=1S/C16H21N3O2/c1-19(2)11-12-4-7-16(21-3)15(8-12)18-9-13-5-6-14(20)10-17-13/h4-8,10,18,20H,9,11H2,1-3H3
InChIKeyFZDAEWFSDXCLFJ-UHFFFAOYSA-N
MW287.36 g/mol
LogP2.47
Rot. Bonds6

About 6-[[5-[(dimethylamino)methyl]-2-methoxyanilino]methyl]pyridin-3-ol

6-[[5-[(dimethylamino)methyl]-2-methoxyanilino]methyl]pyridin-3-ol (PubChem CID 79782269) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is 6-[[5-[(dimethylamino)methyl]-2-methoxyanilino]methyl]pyridin-3-ol.

Molecular Properties

Compound Name6-[[5-[(dimethylamino)methyl]-2-methoxyanilino]methyl]pyridin-3-ol
PubChem CID79782269
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name6-[[5-[(dimethylamino)methyl]-2-methoxyanilino]methyl]pyridin-3-ol
SMILESCOc1ccc(CN(C)C)cc1NCc1ccc(O)cn1
InChIInChI=1S/C16H21N3O2/c1-19(2)11-12-4-7-16(21-3)15(8-12)18-9-13-5-6-14(20)10-17-13/h4-8,10,18,20H,9,11H2,1-3H3
InChIKeyFZDAEWFSDXCLFJ-UHFFFAOYSA-N
XLogP2.47
TPSA57.62 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-[(5-bromo-2-methoxyanilino)methyl]pyridin-3-ol
CID 79783055
5-[(dimethylamino)methyl]-2-methoxy-N-(pyrazin-2-ylmethyl)aniline
CID 62761096
6-[(2,4-dimethoxyanilino)methyl]pyridin-3-ol
CID 79775559
6-[(2-methoxy-4-methylanilino)methyl]pyridin-3-ol
CID 79782889
5-[(dimethylamino)methyl]-2-methoxy-N-(pyridin-3-ylmethyl)aniline
CID 43686524
5-[(dimethylamino)methyl]-N-(2,2-dimethylpropyl)-2-methoxyaniline
CID 61324530
5-[(dimethylamino)methyl]-2-methoxy-N-[(3-methylphenyl)methyl]aniline
CID 43686510
5-[(dimethylamino)methyl]-2-methoxy-N-[(2-methylphenyl)methyl]aniline
CID 43686508
5-[(dimethylamino)methyl]-N-[(5-ethylfuran-2-yl)methyl]-2-methoxyaniline
CID 62346152
2-[[5-[(dimethylamino)methyl]-2-methoxyanilino]methyl]thiophen-3-amine
CID 66387140
N-[(5-bromofuran-2-yl)methyl]-5-[(dimethylamino)methyl]-2-methoxyaniline
CID 43686533
5-[(dimethylamino)methyl]-N-[(1-ethylpyrrol-2-yl)methyl]-2-methoxyaniline
CID 66410939

Frequently Asked Questions

What is the IUPAC name of 6-[[5-[(dimethylamino)methyl]-2-methoxyanilino]methyl]pyridin-3-ol?
The IUPAC name of 6-[[5-[(dimethylamino)methyl]-2-methoxyanilino]methyl]pyridin-3-ol (CID 79782269) is 6-[[5-[(dimethylamino)methyl]-2-methoxyanilino]methyl]pyridin-3-ol.
What is the SMILES notation for 6-[[5-[(dimethylamino)methyl]-2-methoxyanilino]methyl]pyridin-3-ol?
The canonical SMILES for 6-[[5-[(dimethylamino)methyl]-2-methoxyanilino]methyl]pyridin-3-ol is COc1ccc(CN(C)C)cc1NCc1ccc(O)cn1.
What is the InChIKey of 6-[[5-[(dimethylamino)methyl]-2-methoxyanilino]methyl]pyridin-3-ol?
The InChIKey is FZDAEWFSDXCLFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-19(2)11-12-4-7-16(21-3)15(8-12)18-9-13-5-6-14(20)10-17-13/h4-8,10,18,20H,9,11H2,1-3H3.
What are the key properties of 6-[[5-[(dimethylamino)methyl]-2-methoxyanilino]methyl]pyridin-3-ol?
6-[[5-[(dimethylamino)methyl]-2-methoxyanilino]methyl]pyridin-3-ol has a molecular weight of 287.36 g/mol, XLogP of 2.47, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[5-[(dimethylamino)methyl]-2-methoxyanilino]methyl]pyridin-3-ol is sourced from PubChem (CID 79782269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).