1-[4-(1,3-benzodioxol-5-yloxy)-6-methyl-3-pyridinyl]-N-methylmethanamine

C15H16N2O3 — CID 81254758

IUPAC1-[4-(1,3-benzodioxol-5-yloxy)-6-methyl-3-pyridinyl]-N-methylmethanamine
SMILESCNCc1cnc(C)cc1Oc1ccc2c(c1)OCO2
InChIInChI=1S/C15H16N2O3/c1-10-5-14(11(7-16-2)8-17-10)20-12-3-4-13-15(6-12)19-9-18-13/h3-6,8,16H,7,9H2,1-2H3
InChIKeyWOFADHKELQIARG-UHFFFAOYSA-N
MW272.30 g/mol
LogP2.63
Rot. Bonds4

About 1-[4-(1,3-benzodioxol-5-yloxy)-6-methyl-3-pyridinyl]-N-methylmethanamine

1-[4-(1,3-benzodioxol-5-yloxy)-6-methyl-3-pyridinyl]-N-methylmethanamine (PubChem CID 81254758) has the molecular formula C15H16N2O3 and a molecular weight of 272.30 g/mol. Its IUPAC name is 1-[4-(1,3-benzodioxol-5-yloxy)-6-methyl-3-pyridinyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[4-(1,3-benzodioxol-5-yloxy)-6-methyl-3-pyridinyl]-N-methylmethanamine
PubChem CID81254758
Molecular FormulaC15H16N2O3
Molecular Weight272.30 g/mol
Exact Mass272.12
IUPAC Name1-[4-(1,3-benzodioxol-5-yloxy)-6-methyl-3-pyridinyl]-N-methylmethanamine
SMILESCNCc1cnc(C)cc1Oc1ccc2c(c1)OCO2
InChIInChI=1S/C15H16N2O3/c1-10-5-14(11(7-16-2)8-17-10)20-12-3-4-13-15(6-12)19-9-18-13/h3-6,8,16H,7,9H2,1-2H3
InChIKeyWOFADHKELQIARG-UHFFFAOYSA-N
XLogP2.63
TPSA52.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-(3,4-dichlorophenoxy)-6-methyl-3-pyridinyl]-N-methylmethanamine
CID 81250238
1-[2-(1,3-benzodioxol-5-yloxy)phenyl]-N-methylmethanamine
CID 43282413
1-[2-(1,3-benzodioxol-5-yloxy)-4-bromophenyl]-N-methylmethanamine
CID 43282407
1-[2-(1,3-benzodioxol-5-yloxy)-5-chloro-4-pyridinyl]-N-methylmethanamine
CID 114927963
1-(4-methoxy-6-methyl-3-pyridinyl)-N-methylmethanamine
CID 81254703
N-methyl-1-[6-methyl-4-[(1-methyl-1,2,4-triazol-3-yl)oxy]-3-pyridinyl]methanamine
CID 106597823
N-[[4-(3,4-dichlorophenoxy)-6-methyl-3-pyridinyl]methyl]ethanamine
CID 81251160
N-[[4-(2,3-dihydro-1H-inden-5-yloxy)-6-methyl-3-pyridinyl]methyl]ethanamine
CID 81255357
1-(4-ethoxy-6-methyl-3-pyridinyl)-N-methylmethanamine
CID 81253005
1-[2-(1,3-benzodioxol-5-yloxy)-1,3-oxazol-4-yl]-N-methylmethanamine
CID 113377970
1-[4-(cyclopentylmethoxy)-6-methyl-3-pyridinyl]-N-methylmethanamine
CID 81250972
N-[[4-(3,4-dimethylphenoxy)-6-methyl-3-pyridinyl]methyl]propan-1-amine
CID 81254541

Frequently Asked Questions

What is the IUPAC name of 1-[4-(1,3-benzodioxol-5-yloxy)-6-methyl-3-pyridinyl]-N-methylmethanamine?
The IUPAC name of 1-[4-(1,3-benzodioxol-5-yloxy)-6-methyl-3-pyridinyl]-N-methylmethanamine (CID 81254758) is 1-[4-(1,3-benzodioxol-5-yloxy)-6-methyl-3-pyridinyl]-N-methylmethanamine.
What is the SMILES notation for 1-[4-(1,3-benzodioxol-5-yloxy)-6-methyl-3-pyridinyl]-N-methylmethanamine?
The canonical SMILES for 1-[4-(1,3-benzodioxol-5-yloxy)-6-methyl-3-pyridinyl]-N-methylmethanamine is CNCc1cnc(C)cc1Oc1ccc2c(c1)OCO2.
What is the InChIKey of 1-[4-(1,3-benzodioxol-5-yloxy)-6-methyl-3-pyridinyl]-N-methylmethanamine?
The InChIKey is WOFADHKELQIARG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3/c1-10-5-14(11(7-16-2)8-17-10)20-12-3-4-13-15(6-12)19-9-18-13/h3-6,8,16H,7,9H2,1-2H3.
What are the key properties of 1-[4-(1,3-benzodioxol-5-yloxy)-6-methyl-3-pyridinyl]-N-methylmethanamine?
1-[4-(1,3-benzodioxol-5-yloxy)-6-methyl-3-pyridinyl]-N-methylmethanamine has a molecular weight of 272.30 g/mol, XLogP of 2.63, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1,3-benzodioxol-5-yloxy)-6-methyl-3-pyridinyl]-N-methylmethanamine is sourced from PubChem (CID 81254758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).