6-methyl-2-[[methyl-[2-(2-prop-2-enylphenoxy)ethyl]amino]methyl]pyridin-3-ol

C19H24N2O2 — CID 46999688

IUPAC6-methyl-2-[[methyl-[2-(2-prop-2-enylphenoxy)ethyl]amino]methyl]pyridin-3-ol
SMILESC=CCc1ccccc1OCCN(C)Cc1nc(C)ccc1O
InChIInChI=1S/C19H24N2O2/c1-4-7-16-8-5-6-9-19(16)23-13-12-21(3)14-17-18(22)11-10-15(2)20-17/h4-6,8-11,22H,1,7,12-14H2,2-3H3
InChIKeyXLPVKEBPNCLJCZ-UHFFFAOYSA-N
MW312.41 g/mol
LogP3.33
Rot. Bonds8

About 6-methyl-2-[[methyl-[2-(2-prop-2-enylphenoxy)ethyl]amino]methyl]pyridin-3-ol

6-methyl-2-[[methyl-[2-(2-prop-2-enylphenoxy)ethyl]amino]methyl]pyridin-3-ol (PubChem CID 46999688) has the molecular formula C19H24N2O2 and a molecular weight of 312.41 g/mol. Its IUPAC name is 6-methyl-2-[[methyl-[2-(2-prop-2-enylphenoxy)ethyl]amino]methyl]pyridin-3-ol.

Molecular Properties

Compound Name6-methyl-2-[[methyl-[2-(2-prop-2-enylphenoxy)ethyl]amino]methyl]pyridin-3-ol
PubChem CID46999688
Molecular FormulaC19H24N2O2
Molecular Weight312.41 g/mol
Exact Mass312.18
IUPAC Name6-methyl-2-[[methyl-[2-(2-prop-2-enylphenoxy)ethyl]amino]methyl]pyridin-3-ol
SMILESC=CCc1ccccc1OCCN(C)Cc1nc(C)ccc1O
InChIInChI=1S/C19H24N2O2/c1-4-7-16-8-5-6-9-19(16)23-13-12-21(3)14-17-18(22)11-10-15(2)20-17/h4-6,8-11,22H,1,7,12-14H2,2-3H3
InChIKeyXLPVKEBPNCLJCZ-UHFFFAOYSA-N
XLogP3.33
TPSA45.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-[[methyl-[2-(2-prop-2-enylphenoxy)ethyl]amino]methyl]pyridin-3-ol?
The IUPAC name of 6-methyl-2-[[methyl-[2-(2-prop-2-enylphenoxy)ethyl]amino]methyl]pyridin-3-ol (CID 46999688) is 6-methyl-2-[[methyl-[2-(2-prop-2-enylphenoxy)ethyl]amino]methyl]pyridin-3-ol.
What is the SMILES notation for 6-methyl-2-[[methyl-[2-(2-prop-2-enylphenoxy)ethyl]amino]methyl]pyridin-3-ol?
The canonical SMILES for 6-methyl-2-[[methyl-[2-(2-prop-2-enylphenoxy)ethyl]amino]methyl]pyridin-3-ol is C=CCc1ccccc1OCCN(C)Cc1nc(C)ccc1O.
What is the InChIKey of 6-methyl-2-[[methyl-[2-(2-prop-2-enylphenoxy)ethyl]amino]methyl]pyridin-3-ol?
The InChIKey is XLPVKEBPNCLJCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O2/c1-4-7-16-8-5-6-9-19(16)23-13-12-21(3)14-17-18(22)11-10-15(2)20-17/h4-6,8-11,22H,1,7,12-14H2,2-3H3.
What are the key properties of 6-methyl-2-[[methyl-[2-(2-prop-2-enylphenoxy)ethyl]amino]methyl]pyridin-3-ol?
6-methyl-2-[[methyl-[2-(2-prop-2-enylphenoxy)ethyl]amino]methyl]pyridin-3-ol has a molecular weight of 312.41 g/mol, XLogP of 3.33, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-[[methyl-[2-(2-prop-2-enylphenoxy)ethyl]amino]methyl]pyridin-3-ol is sourced from PubChem (CID 46999688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).