1-[4-(1,3-benzodioxol-5-ylmethoxy)-2-pyridinyl]-N-methylmethanamine

C15H16N2O3 — CID 62292141

IUPAC1-[4-(1,3-benzodioxol-5-ylmethoxy)-2-pyridinyl]-N-methylmethanamine
SMILESCNCc1cc(OCc2ccc3c(c2)OCO3)ccn1
InChIInChI=1S/C15H16N2O3/c1-16-8-12-7-13(4-5-17-12)18-9-11-2-3-14-15(6-11)20-10-19-14/h2-7,16H,8-10H2,1H3
InChIKeyOAHBXFCETACLAR-UHFFFAOYSA-N
MW272.30 g/mol
LogP2.11
Rot. Bonds5

About 1-[4-(1,3-benzodioxol-5-ylmethoxy)-2-pyridinyl]-N-methylmethanamine

1-[4-(1,3-benzodioxol-5-ylmethoxy)-2-pyridinyl]-N-methylmethanamine (PubChem CID 62292141) has the molecular formula C15H16N2O3 and a molecular weight of 272.30 g/mol. Its IUPAC name is 1-[4-(1,3-benzodioxol-5-ylmethoxy)-2-pyridinyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[4-(1,3-benzodioxol-5-ylmethoxy)-2-pyridinyl]-N-methylmethanamine
PubChem CID62292141
Molecular FormulaC15H16N2O3
Molecular Weight272.30 g/mol
Exact Mass272.12
IUPAC Name1-[4-(1,3-benzodioxol-5-ylmethoxy)-2-pyridinyl]-N-methylmethanamine
SMILESCNCc1cc(OCc2ccc3c(c2)OCO3)ccn1
InChIInChI=1S/C15H16N2O3/c1-16-8-12-7-13(4-5-17-12)18-9-11-2-3-14-15(6-11)20-10-19-14/h2-7,16H,8-10H2,1H3
InChIKeyOAHBXFCETACLAR-UHFFFAOYSA-N
XLogP2.11
TPSA52.61 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 ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(1,3-benzodioxol-5-ylmethoxy)pyridin-2-amine
CID 113368057
1-[4-[(3-chlorophenyl)methoxy]-2-pyridinyl]-N-methylmethanamine
CID 65125148
[4-(1,3-benzodioxol-5-ylmethoxymethyl)-2-pyridinyl]methanamine
CID 63889462
N-[[4-(1,3-benzodioxol-5-yloxy)-2-pyridinyl]methyl]propan-2-amine
CID 62296181
1-[4-(1,3-benzodioxol-5-ylmethoxy)phenyl]-N-methylethanamine
CID 43285127
3-(1,3-benzodioxol-5-ylmethoxy)benzenethiol
CID 146183968
(1S)-1-[5-(1,3-benzodioxol-5-ylmethoxy)-2-pyridinyl]ethanamine
CID 83127599
5-[[3-[[3-(1,3-benzodioxol-5-ylmethoxy)phenyl]disulfanyl]phenoxy]methyl]-1,3-benzodioxole
CID 155776373
[4-(1,3-benzodioxol-5-ylmethoxy)-6-methyl-3-pyridinyl]methanamine
CID 81253350
[5-(1,3-benzodioxol-5-yloxymethyl)-2-methoxyphenyl]methanamine
CID 65338592
1-(1,3-benzodioxol-5-ylmethyl)-2-methyl-3-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]guanidine
CID 111845073
1-(1,3-benzodioxol-5-yl)-N-[(2-methoxy-4-pyridinyl)methyl]methanamine
CID 62991279

Frequently Asked Questions

What is the IUPAC name of 1-[4-(1,3-benzodioxol-5-ylmethoxy)-2-pyridinyl]-N-methylmethanamine?
The IUPAC name of 1-[4-(1,3-benzodioxol-5-ylmethoxy)-2-pyridinyl]-N-methylmethanamine (CID 62292141) is 1-[4-(1,3-benzodioxol-5-ylmethoxy)-2-pyridinyl]-N-methylmethanamine.
What is the SMILES notation for 1-[4-(1,3-benzodioxol-5-ylmethoxy)-2-pyridinyl]-N-methylmethanamine?
The canonical SMILES for 1-[4-(1,3-benzodioxol-5-ylmethoxy)-2-pyridinyl]-N-methylmethanamine is CNCc1cc(OCc2ccc3c(c2)OCO3)ccn1.
What is the InChIKey of 1-[4-(1,3-benzodioxol-5-ylmethoxy)-2-pyridinyl]-N-methylmethanamine?
The InChIKey is OAHBXFCETACLAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3/c1-16-8-12-7-13(4-5-17-12)18-9-11-2-3-14-15(6-11)20-10-19-14/h2-7,16H,8-10H2,1H3.
What are the key properties of 1-[4-(1,3-benzodioxol-5-ylmethoxy)-2-pyridinyl]-N-methylmethanamine?
1-[4-(1,3-benzodioxol-5-ylmethoxy)-2-pyridinyl]-N-methylmethanamine has a molecular weight of 272.30 g/mol, XLogP of 2.11, 5 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-ylmethoxy)-2-pyridinyl]-N-methylmethanamine is sourced from PubChem (CID 62292141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).