N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1-pyridin-3-ylethanamine

C16H18N2O2 — CID 43204657

IUPACN-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1-pyridin-3-ylethanamine
SMILESCC(NCC1COc2ccccc2O1)c1cccnc1
InChIInChI=1S/C16H18N2O2/c1-12(13-5-4-8-17-9-13)18-10-14-11-19-15-6-2-3-7-16(15)20-14/h2-9,12,14,18H,10-11H2,1H3
InChIKeyAKOJXKXDJZTPTK-UHFFFAOYSA-N
MW270.33 g/mol
LogP2.57
Rot. Bonds4

About N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1-pyridin-3-ylethanamine

N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1-pyridin-3-ylethanamine (PubChem CID 43204657) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1-pyridin-3-ylethanamine.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1-pyridin-3-ylethanamine
PubChem CID43204657
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1-pyridin-3-ylethanamine
SMILESCC(NCC1COc2ccccc2O1)c1cccnc1
InChIInChI=1S/C16H18N2O2/c1-12(13-5-4-8-17-9-13)18-10-14-11-19-15-6-2-3-7-16(15)20-14/h2-9,12,14,18H,10-11H2,1H3
InChIKeyAKOJXKXDJZTPTK-UHFFFAOYSA-N
XLogP2.57
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1R)-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1-phenylethanamine
CID 155091223
(1S)-N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-1-(1-propan-2-ylpyrazol-4-yl)ethanamine
CID 97229124
4-[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethylamino)ethyl]phenol
CID 43204652
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1-(1,3-thiazol-2-yl)ethanamine
CID 64988585
(1S)-N-(oxolan-2-ylmethyl)-1-pyridin-3-ylethanamine
CID 81404067
N-(oxan-2-ylmethyl)-1-pyridin-3-ylethanamine
CID 43403760
N-(3,4-dihydro-2H-pyran-2-ylmethyl)-1-pyridin-3-ylethanamine
CID 62064372
N-(1-oxaspiro[4.5]decan-2-ylmethyl)-1-pyridin-3-ylethanamine
CID 102848150
1-cyclohexyl-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)ethanamine
CID 43769170
(2R)-N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-6-methylheptan-2-amine
CID 125480047
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N'-propan-2-ylethane-1,2-diamine
CID 113405291
3-methyl-N-[(1S)-1-pyridin-3-ylethyl]-3,4-dihydro-2H-chromen-4-amine
CID 104524329

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1-pyridin-3-ylethanamine?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1-pyridin-3-ylethanamine (CID 43204657) is N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1-pyridin-3-ylethanamine.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1-pyridin-3-ylethanamine?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1-pyridin-3-ylethanamine is CC(NCC1COc2ccccc2O1)c1cccnc1.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1-pyridin-3-ylethanamine?
The InChIKey is AKOJXKXDJZTPTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2/c1-12(13-5-4-8-17-9-13)18-10-14-11-19-15-6-2-3-7-16(15)20-14/h2-9,12,14,18H,10-11H2,1H3.
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1-pyridin-3-ylethanamine?
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1-pyridin-3-ylethanamine has a molecular weight of 270.33 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1-pyridin-3-ylethanamine is sourced from PubChem (CID 43204657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).