N-(1,3-benzodioxol-4-ylmethyl)-N-(pyridin-4-ylmethyl)ethanamine

C16H18N2O2 — CID 75430689

IUPACN-(1,3-benzodioxol-4-ylmethyl)-N-(pyridin-4-ylmethyl)ethanamine
SMILESCCN(Cc1ccncc1)Cc1cccc2c1OCO2
InChIInChI=1S/C16H18N2O2/c1-2-18(10-13-6-8-17-9-7-13)11-14-4-3-5-15-16(14)20-12-19-15/h3-9H,2,10-12H2,1H3
InChIKeyUQIOZJFTVHOYAC-UHFFFAOYSA-N
MW270.33 g/mol
LogP2.83
Rot. Bonds5

About N-(1,3-benzodioxol-4-ylmethyl)-N-(pyridin-4-ylmethyl)ethanamine

N-(1,3-benzodioxol-4-ylmethyl)-N-(pyridin-4-ylmethyl)ethanamine (PubChem CID 75430689) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is N-(1,3-benzodioxol-4-ylmethyl)-N-(pyridin-4-ylmethyl)ethanamine.

Molecular Properties

Compound NameN-(1,3-benzodioxol-4-ylmethyl)-N-(pyridin-4-ylmethyl)ethanamine
PubChem CID75430689
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC NameN-(1,3-benzodioxol-4-ylmethyl)-N-(pyridin-4-ylmethyl)ethanamine
SMILESCCN(Cc1ccncc1)Cc1cccc2c1OCO2
InChIInChI=1S/C16H18N2O2/c1-2-18(10-13-6-8-17-9-7-13)11-14-4-3-5-15-16(14)20-12-19-15/h3-9H,2,10-12H2,1H3
InChIKeyUQIOZJFTVHOYAC-UHFFFAOYSA-N
XLogP2.83
TPSA34.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1,3-benzodioxol-4-ylmethyl)-1-(4-fluorophenyl)-N-(pyridin-4-ylmethyl)methanamine
CID 46991613
N-ethyl-3-[[ethyl(pyridin-4-ylmethyl)amino]methyl]pyridin-2-amine
CID 62471061
4-(bromomethyl)-1,3-benzodioxole
CID 22505967
N-[(2-prop-2-enoxyphenyl)methyl]-N-(pyridin-4-ylmethyl)ethanamine
CID 46998544
N-[(2,3-dimethoxyphenyl)methyl]-N-(pyridin-4-ylmethyl)ethanamine;oxalic acid
CID 163327128
N-[(2-chloro-4-pyridinyl)methyl]-N-(pyridin-4-ylmethyl)ethanamine
CID 62470558
4-chloro-3-[[ethyl(pyridin-4-ylmethyl)amino]methyl]aniline
CID 61450760
6-[[ethyl(pyridin-4-ylmethyl)amino]methyl]pyridin-2-amine
CID 79242738
N-(1,3-benzodioxol-4-ylmethyl)-N'-ethyl-N'-propylethane-1,2-diamine
CID 103720806
N-(1,3-benzodioxol-4-ylmethyl)-4-methylpyridin-3-amine
CID 55202653
1-(1,3-benzodioxol-4-ylmethyl)-4-ethylpiperazine
CID 70905419
4-chloro-2-[[ethyl(pyridin-4-ylmethyl)amino]methyl]aniline
CID 79583108

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-4-ylmethyl)-N-(pyridin-4-ylmethyl)ethanamine?
The IUPAC name of N-(1,3-benzodioxol-4-ylmethyl)-N-(pyridin-4-ylmethyl)ethanamine (CID 75430689) is N-(1,3-benzodioxol-4-ylmethyl)-N-(pyridin-4-ylmethyl)ethanamine.
What is the SMILES notation for N-(1,3-benzodioxol-4-ylmethyl)-N-(pyridin-4-ylmethyl)ethanamine?
The canonical SMILES for N-(1,3-benzodioxol-4-ylmethyl)-N-(pyridin-4-ylmethyl)ethanamine is CCN(Cc1ccncc1)Cc1cccc2c1OCO2.
What is the InChIKey of N-(1,3-benzodioxol-4-ylmethyl)-N-(pyridin-4-ylmethyl)ethanamine?
The InChIKey is UQIOZJFTVHOYAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2/c1-2-18(10-13-6-8-17-9-7-13)11-14-4-3-5-15-16(14)20-12-19-15/h3-9H,2,10-12H2,1H3.
What are the key properties of N-(1,3-benzodioxol-4-ylmethyl)-N-(pyridin-4-ylmethyl)ethanamine?
N-(1,3-benzodioxol-4-ylmethyl)-N-(pyridin-4-ylmethyl)ethanamine has a molecular weight of 270.33 g/mol, XLogP of 2.83, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-4-ylmethyl)-N-(pyridin-4-ylmethyl)ethanamine is sourced from PubChem (CID 75430689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).