[4-(1,3-benzodioxol-5-ylmethoxymethyl)-2-pyridinyl]methanamine

C15H16N2O3 — CID 63889462

IUPAC[4-(1,3-benzodioxol-5-ylmethoxymethyl)-2-pyridinyl]methanamine
SMILESNCc1cc(COCc2ccc3c(c2)OCO3)ccn1
InChIInChI=1S/C15H16N2O3/c16-7-13-5-12(3-4-17-13)9-18-8-11-1-2-14-15(6-11)20-10-19-14/h1-6H,7-10,16H2
InChIKeyILYBEJCSWZZUKY-UHFFFAOYSA-N
MW272.30 g/mol
LogP1.99
Rot. Bonds5

About [4-(1,3-benzodioxol-5-ylmethoxymethyl)-2-pyridinyl]methanamine

[4-(1,3-benzodioxol-5-ylmethoxymethyl)-2-pyridinyl]methanamine (PubChem CID 63889462) has the molecular formula C15H16N2O3 and a molecular weight of 272.30 g/mol. Its IUPAC name is [4-(1,3-benzodioxol-5-ylmethoxymethyl)-2-pyridinyl]methanamine.

Molecular Properties

Compound Name[4-(1,3-benzodioxol-5-ylmethoxymethyl)-2-pyridinyl]methanamine
PubChem CID63889462
Molecular FormulaC15H16N2O3
Molecular Weight272.30 g/mol
Exact Mass272.12
IUPAC Name[4-(1,3-benzodioxol-5-ylmethoxymethyl)-2-pyridinyl]methanamine
SMILESNCc1cc(COCc2ccc3c(c2)OCO3)ccn1
InChIInChI=1S/C15H16N2O3/c16-7-13-5-12(3-4-17-13)9-18-8-11-1-2-14-15(6-11)20-10-19-14/h1-6H,7-10,16H2
InChIKeyILYBEJCSWZZUKY-UHFFFAOYSA-N
XLogP1.99
TPSA66.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(1,3-benzodioxol-5-ylmethoxy)pentan-1-amine
CID 54966297
[4-(1,3-benzodioxol-5-ylmethoxymethyl)-3-chlorophenyl]methanamine
CID 102663487
4-(1,3-benzodioxol-5-ylmethoxy)pyridin-2-amine
CID 113368057
[6-(1,3-benzodioxol-5-ylmethoxy)pyrazin-2-yl]methanamine
CID 66450197
O-(1,3-benzodioxol-5-ylmethyl)hydroxylamine
CID 22419624
5-(1,3-benzodioxol-5-ylmethoxymethyl)-2-chloroaniline
CID 43349968
4-(1,3-benzodioxol-5-ylmethoxymethyl)thiadiazol-5-amine
CID 62194277
1-[4-(1,3-benzodioxol-5-ylmethoxy)-2-pyridinyl]-N-methylmethanamine
CID 62292141
5-(methoxymethoxymethyl)-1,3-benzodioxole
CID 20689919
5-(propoxymethyl)-1,3-benzodioxole
CID 10262036
[4-(1,3-benzodioxol-5-ylmethoxy)-6-methyl-3-pyridinyl]methanamine
CID 81253350
2-(1,3-benzodioxol-5-ylmethoxymethyl)-4-fluoroaniline
CID 43443888

Frequently Asked Questions

What is the IUPAC name of [4-(1,3-benzodioxol-5-ylmethoxymethyl)-2-pyridinyl]methanamine?
The IUPAC name of [4-(1,3-benzodioxol-5-ylmethoxymethyl)-2-pyridinyl]methanamine (CID 63889462) is [4-(1,3-benzodioxol-5-ylmethoxymethyl)-2-pyridinyl]methanamine.
What is the SMILES notation for [4-(1,3-benzodioxol-5-ylmethoxymethyl)-2-pyridinyl]methanamine?
The canonical SMILES for [4-(1,3-benzodioxol-5-ylmethoxymethyl)-2-pyridinyl]methanamine is NCc1cc(COCc2ccc3c(c2)OCO3)ccn1.
What is the InChIKey of [4-(1,3-benzodioxol-5-ylmethoxymethyl)-2-pyridinyl]methanamine?
The InChIKey is ILYBEJCSWZZUKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3/c16-7-13-5-12(3-4-17-13)9-18-8-11-1-2-14-15(6-11)20-10-19-14/h1-6H,7-10,16H2.
What are the key properties of [4-(1,3-benzodioxol-5-ylmethoxymethyl)-2-pyridinyl]methanamine?
[4-(1,3-benzodioxol-5-ylmethoxymethyl)-2-pyridinyl]methanamine has a molecular weight of 272.30 g/mol, XLogP of 1.99, 5 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-ylmethoxymethyl)-2-pyridinyl]methanamine is sourced from PubChem (CID 63889462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).