6-N-(4-ethoxyphenyl)-2,3-dihydro-1,4-benzodioxine-6,7-diamine

C16H18N2O3 — CID 29066419

IUPAC6-N-(4-ethoxyphenyl)-2,3-dihydro-1,4-benzodioxine-6,7-diamine
SMILESCCOc1ccc(Nc2cc3c(cc2N)OCCO3)cc1
InChIInChI=1S/C16H18N2O3/c1-2-19-12-5-3-11(4-6-12)18-14-10-16-15(9-13(14)17)20-7-8-21-16/h3-6,9-10,18H,2,7-8,17H2,1H3
InChIKeyJWELDYKOVPFJPF-UHFFFAOYSA-N
MW286.33 g/mol
LogP3.18
Rot. Bonds4

About 6-N-(4-ethoxyphenyl)-2,3-dihydro-1,4-benzodioxine-6,7-diamine

6-N-(4-ethoxyphenyl)-2,3-dihydro-1,4-benzodioxine-6,7-diamine (PubChem CID 29066419) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is 6-N-(4-ethoxyphenyl)-2,3-dihydro-1,4-benzodioxine-6,7-diamine.

Molecular Properties

Compound Name6-N-(4-ethoxyphenyl)-2,3-dihydro-1,4-benzodioxine-6,7-diamine
PubChem CID29066419
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC Name6-N-(4-ethoxyphenyl)-2,3-dihydro-1,4-benzodioxine-6,7-diamine
SMILESCCOc1ccc(Nc2cc3c(cc2N)OCCO3)cc1
InChIInChI=1S/C16H18N2O3/c1-2-19-12-5-3-11(4-6-12)18-14-10-16-15(9-13(14)17)20-7-8-21-16/h3-6,9-10,18H,2,7-8,17H2,1H3
InChIKeyJWELDYKOVPFJPF-UHFFFAOYSA-N
XLogP3.18
TPSA65.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

6-N-[4-(dimethylamino)phenyl]-2,3-dihydro-1,4-benzodioxine-6,7-diamine
CID 43616848
1-N-(4-ethoxyphenyl)-4-fluorobenzene-1,2-diamine
CID 29066421
2-N-(4-ethoxyphenyl)-4-fluoro-5-iodobenzene-1,2-diamine
CID 66100055
4-N-(4-ethoxyphenyl)benzene-1,2,4-triamine
CID 106750281
6-amino-5-(4-ethoxyanilino)-3H-1,3-benzoxazol-2-one
CID 115425085
1-N,4-N-bis(4-ethoxyphenyl)benzene-1,4-diamine
CID 139791472
6-N-(4-bromo-3-fluorophenyl)-2,3-dihydro-1,4-benzodioxine-6,7-diamine
CID 65437457
4-N-(4-ethoxyphenyl)pyridine-3,4-diamine
CID 29066417
3-amino-N-cyclopropyl-4-(4-ethoxyanilino)benzamide
CID 100629829
N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-2-(4-ethoxyphenyl)acetamide
CID 26902730
4-N-(2,5-diethoxyphenyl)-2-methylbenzene-1,4-diamine
CID 43436266
3-N-(4-ethoxyphenyl)-2H-1,4-benzoxazine-3,7-diamine
CID 82368450

Frequently Asked Questions

What is the IUPAC name of 6-N-(4-ethoxyphenyl)-2,3-dihydro-1,4-benzodioxine-6,7-diamine?
The IUPAC name of 6-N-(4-ethoxyphenyl)-2,3-dihydro-1,4-benzodioxine-6,7-diamine (CID 29066419) is 6-N-(4-ethoxyphenyl)-2,3-dihydro-1,4-benzodioxine-6,7-diamine.
What is the SMILES notation for 6-N-(4-ethoxyphenyl)-2,3-dihydro-1,4-benzodioxine-6,7-diamine?
The canonical SMILES for 6-N-(4-ethoxyphenyl)-2,3-dihydro-1,4-benzodioxine-6,7-diamine is CCOc1ccc(Nc2cc3c(cc2N)OCCO3)cc1.
What is the InChIKey of 6-N-(4-ethoxyphenyl)-2,3-dihydro-1,4-benzodioxine-6,7-diamine?
The InChIKey is JWELDYKOVPFJPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3/c1-2-19-12-5-3-11(4-6-12)18-14-10-16-15(9-13(14)17)20-7-8-21-16/h3-6,9-10,18H,2,7-8,17H2,1H3.
What are the key properties of 6-N-(4-ethoxyphenyl)-2,3-dihydro-1,4-benzodioxine-6,7-diamine?
6-N-(4-ethoxyphenyl)-2,3-dihydro-1,4-benzodioxine-6,7-diamine has a molecular weight of 286.33 g/mol, XLogP of 3.18, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(4-ethoxyphenyl)-2,3-dihydro-1,4-benzodioxine-6,7-diamine is sourced from PubChem (CID 29066419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).