6-methyl-2-[(4-methyl-2-propoxyanilino)methyl]pyridin-3-ol

C17H22N2O2 — CID 79157320

IUPAC6-methyl-2-[(4-methyl-2-propoxyanilino)methyl]pyridin-3-ol
SMILESCCCOc1cc(C)ccc1NCc1nc(C)ccc1O
InChIInChI=1S/C17H22N2O2/c1-4-9-21-17-10-12(2)5-7-14(17)18-11-15-16(20)8-6-13(3)19-15/h5-8,10,18,20H,4,9,11H2,1-3H3
InChIKeyLSSAFNZQCMYDLZ-UHFFFAOYSA-N
MW286.38 g/mol
LogP3.80
Rot. Bonds6

About 6-methyl-2-[(4-methyl-2-propoxyanilino)methyl]pyridin-3-ol

6-methyl-2-[(4-methyl-2-propoxyanilino)methyl]pyridin-3-ol (PubChem CID 79157320) has the molecular formula C17H22N2O2 and a molecular weight of 286.38 g/mol. Its IUPAC name is 6-methyl-2-[(4-methyl-2-propoxyanilino)methyl]pyridin-3-ol.

Molecular Properties

Compound Name6-methyl-2-[(4-methyl-2-propoxyanilino)methyl]pyridin-3-ol
PubChem CID79157320
Molecular FormulaC17H22N2O2
Molecular Weight286.38 g/mol
Exact Mass286.17
IUPAC Name6-methyl-2-[(4-methyl-2-propoxyanilino)methyl]pyridin-3-ol
SMILESCCCOc1cc(C)ccc1NCc1nc(C)ccc1O
InChIInChI=1S/C17H22N2O2/c1-4-9-21-17-10-12(2)5-7-14(17)18-11-15-16(20)8-6-13(3)19-15/h5-8,10,18,20H,4,9,11H2,1-3H3
InChIKeyLSSAFNZQCMYDLZ-UHFFFAOYSA-N
XLogP3.80
TPSA54.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[2-[(dimethylamino)methyl]-4-methylanilino]methyl]-6-methylpyridin-3-ol
CID 71968000
2-[[2-(3-methoxypropoxy)anilino]methyl]-6-methylpyridin-3-ol
CID 75385183
2,6-dichloro-N-(4-methyl-2-propoxyphenyl)pyridine-4-carboxamide
CID 87023490
N-[(6-bromo-2-pyridinyl)methyl]-4-methyl-2-propoxyaniline
CID 115938149
N-[(5-ethylfuran-2-yl)methyl]-4-methyl-2-propoxyaniline
CID 62347253
N-[(4-bromophenyl)methyl]-4-methyl-2-propoxyaniline
CID 63453167
N-(furan-2-ylmethyl)-4-methyl-2-propoxyaniline
CID 54864634
N-[(2-ethylpyrazol-3-yl)methyl]-4-methyl-2-propoxyaniline
CID 115762790
4-methyl-N-[(2-methylpyrazol-3-yl)methyl]-2-propoxyaniline
CID 54864670
2-[(4-fluoro-2-methylanilino)methyl]-6-methylpyridin-3-ol
CID 79163164
N-[(4-bromo-3-methylphenyl)methyl]-4-methyl-2-propoxyaniline
CID 66472407
N-[(3-ethylimidazol-4-yl)methyl]-4-methyl-2-propoxyaniline
CID 66133624

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-[(4-methyl-2-propoxyanilino)methyl]pyridin-3-ol?
The IUPAC name of 6-methyl-2-[(4-methyl-2-propoxyanilino)methyl]pyridin-3-ol (CID 79157320) is 6-methyl-2-[(4-methyl-2-propoxyanilino)methyl]pyridin-3-ol.
What is the SMILES notation for 6-methyl-2-[(4-methyl-2-propoxyanilino)methyl]pyridin-3-ol?
The canonical SMILES for 6-methyl-2-[(4-methyl-2-propoxyanilino)methyl]pyridin-3-ol is CCCOc1cc(C)ccc1NCc1nc(C)ccc1O.
What is the InChIKey of 6-methyl-2-[(4-methyl-2-propoxyanilino)methyl]pyridin-3-ol?
The InChIKey is LSSAFNZQCMYDLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-4-9-21-17-10-12(2)5-7-14(17)18-11-15-16(20)8-6-13(3)19-15/h5-8,10,18,20H,4,9,11H2,1-3H3.
What are the key properties of 6-methyl-2-[(4-methyl-2-propoxyanilino)methyl]pyridin-3-ol?
6-methyl-2-[(4-methyl-2-propoxyanilino)methyl]pyridin-3-ol has a molecular weight of 286.38 g/mol, XLogP of 3.80, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-[(4-methyl-2-propoxyanilino)methyl]pyridin-3-ol is sourced from PubChem (CID 79157320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).