N-benzyl-1-(2,3-dihydro-1,4-benzodioxin-3-yl)ethanamine

C17H19NO2 — CID 541836

IUPACN-benzyl-1-(2,3-dihydro-1,4-benzodioxin-3-yl)ethanamine
SMILESCC(NCc1ccccc1)C1COc2ccccc2O1
InChIInChI=1S/C17H19NO2/c1-13(18-11-14-7-3-2-4-8-14)17-12-19-15-9-5-6-10-16(15)20-17/h2-10,13,17-18H,11-12H2,1H3
InChIKeyYPPYOQYQJOKSGG-UHFFFAOYSA-N
MW269.34 g/mol
LogP3.00
Rot. Bonds4

About N-benzyl-1-(2,3-dihydro-1,4-benzodioxin-3-yl)ethanamine

N-benzyl-1-(2,3-dihydro-1,4-benzodioxin-3-yl)ethanamine (PubChem CID 541836) has the molecular formula C17H19NO2 and a molecular weight of 269.34 g/mol. Its IUPAC name is N-benzyl-1-(2,3-dihydro-1,4-benzodioxin-3-yl)ethanamine.

Molecular Properties

Compound NameN-benzyl-1-(2,3-dihydro-1,4-benzodioxin-3-yl)ethanamine
PubChem CID541836
Molecular FormulaC17H19NO2
Molecular Weight269.34 g/mol
Exact Mass269.14
IUPAC NameN-benzyl-1-(2,3-dihydro-1,4-benzodioxin-3-yl)ethanamine
SMILESCC(NCc1ccccc1)C1COc2ccccc2O1
InChIInChI=1S/C17H19NO2/c1-13(18-11-14-7-3-2-4-8-14)17-12-19-15-9-5-6-10-16(15)20-17/h2-10,13,17-18H,11-12H2,1H3
InChIKeyYPPYOQYQJOKSGG-UHFFFAOYSA-N
XLogP3.00
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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Benzenepropanamine, gamma-(2-methoxyphenoxy)-N-methyl-, hydrochloride (1:1)
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Nisoxetine, (-)-
CID 6603938
N-(2,3-dihydro-1,4-benzodioxin-2-ylmethyl)-2-phenyl-1-ethanamine
CID 2850689
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[2-(Chroman-8-yloxy)-ethyl]-[4-(4-methoxy-phenyl)-butyl]-amine
CID 10522191
Morpholine, 2-((S)-(2-iodophenoxy)phenylmethyl)-, (2S)-
CID 44438485
1-[(3S)-1-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]piperidin-3-yl]-4-phenylimidazolidin-2-one
CID 138621575

Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-(2,3-dihydro-1,4-benzodioxin-3-yl)ethanamine?
The IUPAC name of N-benzyl-1-(2,3-dihydro-1,4-benzodioxin-3-yl)ethanamine (CID 541836) is N-benzyl-1-(2,3-dihydro-1,4-benzodioxin-3-yl)ethanamine.
What is the SMILES notation for N-benzyl-1-(2,3-dihydro-1,4-benzodioxin-3-yl)ethanamine?
The canonical SMILES for N-benzyl-1-(2,3-dihydro-1,4-benzodioxin-3-yl)ethanamine is CC(NCc1ccccc1)C1COc2ccccc2O1.
What is the InChIKey of N-benzyl-1-(2,3-dihydro-1,4-benzodioxin-3-yl)ethanamine?
The InChIKey is YPPYOQYQJOKSGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO2/c1-13(18-11-14-7-3-2-4-8-14)17-12-19-15-9-5-6-10-16(15)20-17/h2-10,13,17-18H,11-12H2,1H3.
What are the key properties of N-benzyl-1-(2,3-dihydro-1,4-benzodioxin-3-yl)ethanamine?
N-benzyl-1-(2,3-dihydro-1,4-benzodioxin-3-yl)ethanamine has a molecular weight of 269.34 g/mol, XLogP of 3.00, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-(2,3-dihydro-1,4-benzodioxin-3-yl)ethanamine is sourced from PubChem (CID 541836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).