(Z)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(3,5-dimethoxyphenyl)ethenamine

C18H19NO4 — CID 70327993

IUPAC(Z)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(3,5-dimethoxyphenyl)ethenamine
SMILESCOc1cc(OC)cc(/C(=C\N)c2ccc3c(c2)OCCO3)c1
InChIInChI=1S/C18H19NO4/c1-20-14-7-13(8-15(10-14)21-2)16(11-19)12-3-4-17-18(9-12)23-6-5-22-17/h3-4,7-11H,5-6,19H2,1-2H3/b16-11-
InChIKeySUUXTFRYQBKUJJ-WJDWOHSUSA-N
MW313.35 g/mol
LogP2.82
Rot. Bonds4

About (Z)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(3,5-dimethoxyphenyl)ethenamine

(Z)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(3,5-dimethoxyphenyl)ethenamine (PubChem CID 70327993) has the molecular formula C18H19NO4 and a molecular weight of 313.35 g/mol. Its IUPAC name is (Z)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(3,5-dimethoxyphenyl)ethenamine.

Molecular Properties

Compound Name(Z)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(3,5-dimethoxyphenyl)ethenamine
PubChem CID70327993
Molecular FormulaC18H19NO4
Molecular Weight313.35 g/mol
Exact Mass313.13
IUPAC Name(Z)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(3,5-dimethoxyphenyl)ethenamine
SMILESCOc1cc(OC)cc(/C(=C\N)c2ccc3c(c2)OCCO3)c1
InChIInChI=1S/C18H19NO4/c1-20-14-7-13(8-15(10-14)21-2)16(11-19)12-3-4-17-18(9-12)23-6-5-22-17/h3-4,7-11H,5-6,19H2,1-2H3/b16-11-
InChIKeySUUXTFRYQBKUJJ-WJDWOHSUSA-N
XLogP2.82
TPSA62.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.35
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N,N-bis[2,2-bis(4-methoxyphenyl)ethenyl]-2,3-dihydro-1,4-benzodioxin-6-amine
CID 139339928
2,3-dihydro-1,4-benzodioxin-6-yl-(5-methoxy-3-pyridinyl)methanone
CID 115793344
(Z)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(4-methoxyphenyl)prop-2-enoic acid
CID 83950930
(2-bromo-4-methoxyphenyl)-(2,3-dihydro-1,4-benzodioxin-6-yl)methanone
CID 60786281
6-[1-(3,5-dimethoxyphenyl)prop-2-enyl]-2,3-dihydro-1,4-benzodioxine
CID 141099911
(E)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(2,4-dimethoxyphenyl)prop-2-en-1-one
CID 5340533
2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 659279
2,3-dihydro-1,4-benzodioxin-6-yl-(3-methoxythiophen-2-yl)methanone
CID 81127963
[2-[(4-methoxybenzoyl)amino]-2-oxoethyl] 2,3-dihydro-1,4-benzodioxine-6-carboxylate
CID 16530725
4-[2-[3-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-5-methoxyphenyl]ethyl]benzoic acid
CID 171715350
1-[(E)-1-(3,4-dimethoxyphenyl)prop-1-enyl]-3,5-dimethoxybenzene
CID 69202625
[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-1-yl]-(3,5-dimethoxyphenyl)methanone
CID 4852739

Frequently Asked Questions

What is the IUPAC name of (Z)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(3,5-dimethoxyphenyl)ethenamine?
The IUPAC name of (Z)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(3,5-dimethoxyphenyl)ethenamine (CID 70327993) is (Z)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(3,5-dimethoxyphenyl)ethenamine.
What is the SMILES notation for (Z)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(3,5-dimethoxyphenyl)ethenamine?
The canonical SMILES for (Z)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(3,5-dimethoxyphenyl)ethenamine is COc1cc(OC)cc(/C(=C\N)c2ccc3c(c2)OCCO3)c1.
What is the InChIKey of (Z)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(3,5-dimethoxyphenyl)ethenamine?
The InChIKey is SUUXTFRYQBKUJJ-WJDWOHSUSA-N. The full InChI is InChI=1S/C18H19NO4/c1-20-14-7-13(8-15(10-14)21-2)16(11-19)12-3-4-17-18(9-12)23-6-5-22-17/h3-4,7-11H,5-6,19H2,1-2H3/b16-11-.
What are the key properties of (Z)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(3,5-dimethoxyphenyl)ethenamine?
(Z)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(3,5-dimethoxyphenyl)ethenamine has a molecular weight of 313.35 g/mol, XLogP of 2.82, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(3,5-dimethoxyphenyl)ethenamine is sourced from PubChem (CID 70327993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).