1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methyl-N-phenylethane-1,2-diamine

C17H20N2O2 — CID 43327451

IUPAC1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methyl-N-phenylethane-1,2-diamine
SMILESCN(c1ccccc1)C(CN)c1ccc2c(c1)OCCO2
InChIInChI=1S/C17H20N2O2/c1-19(14-5-3-2-4-6-14)15(12-18)13-7-8-16-17(11-13)21-10-9-20-16/h2-8,11,15H,9-10,12,18H2,1H3
InChIKeyPSHSQBRAAPDMQL-UHFFFAOYSA-N
MW284.36 g/mol
LogP2.59
Rot. Bonds4

About 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methyl-N-phenylethane-1,2-diamine

1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methyl-N-phenylethane-1,2-diamine (PubChem CID 43327451) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methyl-N-phenylethane-1,2-diamine.

Molecular Properties

Compound Name1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methyl-N-phenylethane-1,2-diamine
PubChem CID43327451
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC Name1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methyl-N-phenylethane-1,2-diamine
SMILESCN(c1ccccc1)C(CN)c1ccc2c(c1)OCCO2
InChIInChI=1S/C17H20N2O2/c1-19(14-5-3-2-4-6-14)15(12-18)13-7-8-16-17(11-13)21-10-9-20-16/h2-8,11,15H,9-10,12,18H2,1H3
InChIKeyPSHSQBRAAPDMQL-UHFFFAOYSA-N
XLogP2.59
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-phenylethanamine
CID 25273117
1-(3-bromo-4-methylphenyl)-N-methyl-N-phenylethane-1,2-diamine
CID 105404647
3-amino-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenylpropan-1-ol
CID 65189468
N-methyl-N-phenyl-1-quinolin-6-ylethane-1,2-diamine
CID 63967659
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(N-methylanilino)propan-1-ol
CID 82073633
2-chloro-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N,N-dimethylethanamine
CID 82084796
2-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]propane-1,3-diamine
CID 83922116
(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethane-1,2-diamine;hydrochloride
CID 171226605
(1R)-2-amino-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanol
CID 7300390
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methyl-1-phenylmethanamine
CID 43481511
1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-methyl-N-pentylethane-1,2-diamine
CID 60869742
1-amino-3-(2,3-dihydro-1,4-benzodioxin-6-yl)butan-2-ol
CID 82080447

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methyl-N-phenylethane-1,2-diamine?
The IUPAC name of 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methyl-N-phenylethane-1,2-diamine (CID 43327451) is 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methyl-N-phenylethane-1,2-diamine.
What is the SMILES notation for 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methyl-N-phenylethane-1,2-diamine?
The canonical SMILES for 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methyl-N-phenylethane-1,2-diamine is CN(c1ccccc1)C(CN)c1ccc2c(c1)OCCO2.
What is the InChIKey of 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methyl-N-phenylethane-1,2-diamine?
The InChIKey is PSHSQBRAAPDMQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2/c1-19(14-5-3-2-4-6-14)15(12-18)13-7-8-16-17(11-13)21-10-9-20-16/h2-8,11,15H,9-10,12,18H2,1H3.
What are the key properties of 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methyl-N-phenylethane-1,2-diamine?
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methyl-N-phenylethane-1,2-diamine has a molecular weight of 284.36 g/mol, XLogP of 2.59, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methyl-N-phenylethane-1,2-diamine is sourced from PubChem (CID 43327451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).