2-[[2-(3-methoxypropoxy)anilino]methyl]-6-methylpyridin-3-ol

C17H22N2O3 — CID 75385183

IUPAC2-[[2-(3-methoxypropoxy)anilino]methyl]-6-methylpyridin-3-ol
SMILESCOCCCOc1ccccc1NCc1nc(C)ccc1O
InChIInChI=1S/C17H22N2O3/c1-13-8-9-16(20)15(19-13)12-18-14-6-3-4-7-17(14)22-11-5-10-21-2/h3-4,6-9,18,20H,5,10-12H2,1-2H3
InChIKeyNBQFFVLLCURRIT-UHFFFAOYSA-N
MW302.37 g/mol
LogP3.12
Rot. Bonds8

About 2-[[2-(3-methoxypropoxy)anilino]methyl]-6-methylpyridin-3-ol

2-[[2-(3-methoxypropoxy)anilino]methyl]-6-methylpyridin-3-ol (PubChem CID 75385183) has the molecular formula C17H22N2O3 and a molecular weight of 302.37 g/mol. Its IUPAC name is 2-[[2-(3-methoxypropoxy)anilino]methyl]-6-methylpyridin-3-ol.

Molecular Properties

Compound Name2-[[2-(3-methoxypropoxy)anilino]methyl]-6-methylpyridin-3-ol
PubChem CID75385183
Molecular FormulaC17H22N2O3
Molecular Weight302.37 g/mol
Exact Mass302.16
IUPAC Name2-[[2-(3-methoxypropoxy)anilino]methyl]-6-methylpyridin-3-ol
SMILESCOCCCOc1ccccc1NCc1nc(C)ccc1O
InChIInChI=1S/C17H22N2O3/c1-13-8-9-16(20)15(19-13)12-18-14-6-3-4-7-17(14)22-11-5-10-21-2/h3-4,6-9,18,20H,5,10-12H2,1-2H3
InChIKeyNBQFFVLLCURRIT-UHFFFAOYSA-N
XLogP3.12
TPSA63.61 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[(2-iodoanilino)methyl]-6-methylpyridin-3-ol
CID 79162332
[3-(3-methoxypropoxy)-6-methyl-2-pyridinyl]methanol
CID 79157840
2-[[2-(difluoromethylsulfanyl)anilino]methyl]-6-methylpyridin-3-ol
CID 79163162
2-[(8λ4-selena-7,9-diazabicyclo[4.3.0]nona-1(6),2,4,7,8-pentaen-2-ylamino)methyl]-6-methylpyridin-3-ol
CID 79151022
2-[(3-chloro-2-fluoroanilino)methyl]-6-methylpyridin-3-ol
CID 79163434
2-[[3-chloro-2-(dimethylamino)anilino]methyl]-6-methylpyridin-3-ol
CID 79150636
6-methyl-2-[[2-(1,2,4-triazol-1-yl)anilino]methyl]pyridin-3-ol
CID 79156738
2-[(3-hydroxy-6-methyl-2-pyridinyl)methylamino]-3-methoxybenzonitrile
CID 107467076
2-[(2-bromo-5-methoxyanilino)methyl]-6-methylpyridin-3-ol
CID 79151320
2-butoxy-N-[[2-(2-methoxyethoxy)phenyl]methyl]aniline
CID 54801593
2-[(2-bromo-4-fluoroanilino)methyl]-6-methylpyridin-3-ol
CID 79162906
3-(3-methoxypropoxy)-6-methylpyridine-2-carboxylic acid
CID 79158863

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(3-methoxypropoxy)anilino]methyl]-6-methylpyridin-3-ol?
The IUPAC name of 2-[[2-(3-methoxypropoxy)anilino]methyl]-6-methylpyridin-3-ol (CID 75385183) is 2-[[2-(3-methoxypropoxy)anilino]methyl]-6-methylpyridin-3-ol.
What is the SMILES notation for 2-[[2-(3-methoxypropoxy)anilino]methyl]-6-methylpyridin-3-ol?
The canonical SMILES for 2-[[2-(3-methoxypropoxy)anilino]methyl]-6-methylpyridin-3-ol is COCCCOc1ccccc1NCc1nc(C)ccc1O.
What is the InChIKey of 2-[[2-(3-methoxypropoxy)anilino]methyl]-6-methylpyridin-3-ol?
The InChIKey is NBQFFVLLCURRIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O3/c1-13-8-9-16(20)15(19-13)12-18-14-6-3-4-7-17(14)22-11-5-10-21-2/h3-4,6-9,18,20H,5,10-12H2,1-2H3.
What are the key properties of 2-[[2-(3-methoxypropoxy)anilino]methyl]-6-methylpyridin-3-ol?
2-[[2-(3-methoxypropoxy)anilino]methyl]-6-methylpyridin-3-ol has a molecular weight of 302.37 g/mol, XLogP of 3.12, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(3-methoxypropoxy)anilino]methyl]-6-methylpyridin-3-ol is sourced from PubChem (CID 75385183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).