4-(1,3-benzodioxol-5-ylmethoxy)pyridin-2-amine

C13H12N2O3 — CID 113368057

IUPAC4-(1,3-benzodioxol-5-ylmethoxy)pyridin-2-amine
SMILESNc1cc(OCc2ccc3c(c2)OCO3)ccn1
InChIInChI=1S/C13H12N2O3/c14-13-6-10(3-4-15-13)16-7-9-1-2-11-12(5-9)18-8-17-11/h1-6H,7-8H2,(H2,14,15)
InChIKeyLCQCZFWUCUTGCY-UHFFFAOYSA-N
MW244.25 g/mol
LogP1.97
Rot. Bonds3

About 4-(1,3-benzodioxol-5-ylmethoxy)pyridin-2-amine

4-(1,3-benzodioxol-5-ylmethoxy)pyridin-2-amine (PubChem CID 113368057) has the molecular formula C13H12N2O3 and a molecular weight of 244.25 g/mol. Its IUPAC name is 4-(1,3-benzodioxol-5-ylmethoxy)pyridin-2-amine.

Molecular Properties

Compound Name4-(1,3-benzodioxol-5-ylmethoxy)pyridin-2-amine
PubChem CID113368057
Molecular FormulaC13H12N2O3
Molecular Weight244.25 g/mol
Exact Mass244.08
IUPAC Name4-(1,3-benzodioxol-5-ylmethoxy)pyridin-2-amine
SMILESNc1cc(OCc2ccc3c(c2)OCO3)ccn1
InChIInChI=1S/C13H12N2O3/c14-13-6-10(3-4-15-13)16-7-9-1-2-11-12(5-9)18-8-17-11/h1-6H,7-8H2,(H2,14,15)
InChIKeyLCQCZFWUCUTGCY-UHFFFAOYSA-N
XLogP1.97
TPSA66.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.25
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-(1,3-benzodioxol-5-ylmethoxy)-2-pyridinyl]-N-methylmethanamine
CID 62292141
2-(1,3-benzodioxol-5-ylmethoxy)aniline
CID 11791381
[4-(1,3-benzodioxol-5-ylmethoxymethyl)-2-pyridinyl]methanamine
CID 63889462
3-(1,3-benzodioxol-5-ylmethoxy)benzenethiol
CID 146183968
5-[[3-[[3-(1,3-benzodioxol-5-ylmethoxy)phenyl]disulfanyl]phenoxy]methyl]-1,3-benzodioxole
CID 155776373
O-(1,3-benzodioxol-5-ylmethyl)hydroxylamine
CID 22419624
4-(1,3-benzodioxol-5-yl)pyridin-2-amine
CID 50951571
(1S)-1-[5-(1,3-benzodioxol-5-ylmethoxy)-2-pyridinyl]ethanamine
CID 83127599
8-(1,3-benzodioxol-5-ylmethoxy)imidazo[1,2-a]pyrazin-6-amine
CID 80843714
[5-(1,3-benzodioxol-5-yloxymethyl)-2-pyridinyl]hydrazine
CID 55051241
4-(1,3-benzodioxol-5-ylmethoxy)-6-chloropyrimidin-5-amine
CID 63021904
[5-(1,3-benzodioxol-5-yloxymethyl)-2-methoxyphenyl]methanamine
CID 65338592

Frequently Asked Questions

What is the IUPAC name of 4-(1,3-benzodioxol-5-ylmethoxy)pyridin-2-amine?
The IUPAC name of 4-(1,3-benzodioxol-5-ylmethoxy)pyridin-2-amine (CID 113368057) is 4-(1,3-benzodioxol-5-ylmethoxy)pyridin-2-amine.
What is the SMILES notation for 4-(1,3-benzodioxol-5-ylmethoxy)pyridin-2-amine?
The canonical SMILES for 4-(1,3-benzodioxol-5-ylmethoxy)pyridin-2-amine is Nc1cc(OCc2ccc3c(c2)OCO3)ccn1.
What is the InChIKey of 4-(1,3-benzodioxol-5-ylmethoxy)pyridin-2-amine?
The InChIKey is LCQCZFWUCUTGCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O3/c14-13-6-10(3-4-15-13)16-7-9-1-2-11-12(5-9)18-8-17-11/h1-6H,7-8H2,(H2,14,15).
What are the key properties of 4-(1,3-benzodioxol-5-ylmethoxy)pyridin-2-amine?
4-(1,3-benzodioxol-5-ylmethoxy)pyridin-2-amine has a molecular weight of 244.25 g/mol, XLogP of 1.97, 3 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)pyridin-2-amine is sourced from PubChem (CID 113368057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).