[4-(1,3-benzodioxol-5-ylmethoxy)-6-methyl-3-pyridinyl]methanamine

C15H16N2O3 — CID 81253350

IUPAC[4-(1,3-benzodioxol-5-ylmethoxy)-6-methyl-3-pyridinyl]methanamine
SMILESCc1cc(OCc2ccc3c(c2)OCO3)c(CN)cn1
InChIInChI=1S/C15H16N2O3/c1-10-4-14(12(6-16)7-17-10)18-8-11-2-3-13-15(5-11)20-9-19-13/h2-5,7H,6,8-9,16H2,1H3
InChIKeyNXDIXCMUFKOUKU-UHFFFAOYSA-N
MW272.30 g/mol
LogP2.16
Rot. Bonds4

About [4-(1,3-benzodioxol-5-ylmethoxy)-6-methyl-3-pyridinyl]methanamine

[4-(1,3-benzodioxol-5-ylmethoxy)-6-methyl-3-pyridinyl]methanamine (PubChem CID 81253350) has the molecular formula C15H16N2O3 and a molecular weight of 272.30 g/mol. Its IUPAC name is [4-(1,3-benzodioxol-5-ylmethoxy)-6-methyl-3-pyridinyl]methanamine.

Molecular Properties

Compound Name[4-(1,3-benzodioxol-5-ylmethoxy)-6-methyl-3-pyridinyl]methanamine
PubChem CID81253350
Molecular FormulaC15H16N2O3
Molecular Weight272.30 g/mol
Exact Mass272.12
IUPAC Name[4-(1,3-benzodioxol-5-ylmethoxy)-6-methyl-3-pyridinyl]methanamine
SMILESCc1cc(OCc2ccc3c(c2)OCO3)c(CN)cn1
InChIInChI=1S/C15H16N2O3/c1-10-4-14(12(6-16)7-17-10)18-8-11-2-3-13-15(5-11)20-9-19-13/h2-5,7H,6,8-9,16H2,1H3
InChIKeyNXDIXCMUFKOUKU-UHFFFAOYSA-N
XLogP2.16
TPSA66.60 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 ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [4-(1,3-benzodioxol-5-ylmethoxy)-6-methyl-3-pyridinyl]methanamine with MolForge

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Related Compounds

[6-(1,3-benzodioxol-5-ylmethoxy)pyrazin-2-yl]methanamine
CID 66450197
2-(1,3-benzodioxol-5-ylmethoxy)aniline
CID 11791381
[5-(1,3-benzodioxol-5-yloxymethyl)-2-methoxyphenyl]methanamine
CID 65338592
[4-(1,3-benzodioxol-5-ylmethoxymethyl)-2-pyridinyl]methanamine
CID 63889462
[4-[(2-chlorophenyl)methoxy]-6-methyl-3-pyridinyl]methanamine
CID 81253013
4-(1,3-benzodioxol-5-ylmethoxy)-3-methylbenzaldehyde
CID 79111108
1-[2-(1,3-benzodioxol-5-ylmethoxy)phenyl]ethanamine
CID 43189048
O-(1,3-benzodioxol-5-ylmethyl)hydroxylamine
CID 22419624
2-(1,3-benzodioxol-5-ylmethoxy)-6-methylpyridine-4-carbothioamide
CID 114768074
2-(1,3-benzodioxol-5-ylmethoxy)-4,6-difluoroaniline
CID 115507284
(1S)-1-[5-(1,3-benzodioxol-5-ylmethoxy)-2-pyridinyl]ethanamine
CID 83127599
1-[4-(1,3-benzodioxol-5-yloxy)-6-methyl-3-pyridinyl]-N-methylmethanamine
CID 81254758

Frequently Asked Questions

What is the IUPAC name of [4-(1,3-benzodioxol-5-ylmethoxy)-6-methyl-3-pyridinyl]methanamine?
The IUPAC name of [4-(1,3-benzodioxol-5-ylmethoxy)-6-methyl-3-pyridinyl]methanamine (CID 81253350) is [4-(1,3-benzodioxol-5-ylmethoxy)-6-methyl-3-pyridinyl]methanamine.
What is the SMILES notation for [4-(1,3-benzodioxol-5-ylmethoxy)-6-methyl-3-pyridinyl]methanamine?
The canonical SMILES for [4-(1,3-benzodioxol-5-ylmethoxy)-6-methyl-3-pyridinyl]methanamine is Cc1cc(OCc2ccc3c(c2)OCO3)c(CN)cn1.
What is the InChIKey of [4-(1,3-benzodioxol-5-ylmethoxy)-6-methyl-3-pyridinyl]methanamine?
The InChIKey is NXDIXCMUFKOUKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3/c1-10-4-14(12(6-16)7-17-10)18-8-11-2-3-13-15(5-11)20-9-19-13/h2-5,7H,6,8-9,16H2,1H3.
What are the key properties of [4-(1,3-benzodioxol-5-ylmethoxy)-6-methyl-3-pyridinyl]methanamine?
[4-(1,3-benzodioxol-5-ylmethoxy)-6-methyl-3-pyridinyl]methanamine has a molecular weight of 272.30 g/mol, XLogP of 2.16, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1,3-benzodioxol-5-ylmethoxy)-6-methyl-3-pyridinyl]methanamine is sourced from PubChem (CID 81253350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).