6-(3,4-dimethoxypyrrolidin-1-yl)-2,3-dihydro-1,4-benzodioxin-7-amine

C14H20N2O4 — CID 103530636

IUPAC6-(3,4-dimethoxypyrrolidin-1-yl)-2,3-dihydro-1,4-benzodioxin-7-amine
SMILESCOC1CN(c2cc3c(cc2N)OCCO3)CC1OC
InChIInChI=1S/C14H20N2O4/c1-17-13-7-16(8-14(13)18-2)10-6-12-11(5-9(10)15)19-3-4-20-12/h5-6,13-14H,3-4,7-8,15H2,1-2H3
InChIKeyOUUCREGDZGLCMT-UHFFFAOYSA-N
MW280.32 g/mol
LogP0.89
Rot. Bonds3

About 6-(3,4-dimethoxypyrrolidin-1-yl)-2,3-dihydro-1,4-benzodioxin-7-amine

6-(3,4-dimethoxypyrrolidin-1-yl)-2,3-dihydro-1,4-benzodioxin-7-amine (PubChem CID 103530636) has the molecular formula C14H20N2O4 and a molecular weight of 280.32 g/mol. Its IUPAC name is 6-(3,4-dimethoxypyrrolidin-1-yl)-2,3-dihydro-1,4-benzodioxin-7-amine.

Molecular Properties

Compound Name6-(3,4-dimethoxypyrrolidin-1-yl)-2,3-dihydro-1,4-benzodioxin-7-amine
PubChem CID103530636
Molecular FormulaC14H20N2O4
Molecular Weight280.32 g/mol
Exact Mass280.14
IUPAC Name6-(3,4-dimethoxypyrrolidin-1-yl)-2,3-dihydro-1,4-benzodioxin-7-amine
SMILESCOC1CN(c2cc3c(cc2N)OCCO3)CC1OC
InChIInChI=1S/C14H20N2O4/c1-17-13-7-16(8-14(13)18-2)10-6-12-11(5-9(10)15)19-3-4-20-12/h5-6,13-14H,3-4,7-8,15H2,1-2H3
InChIKeyOUUCREGDZGLCMT-UHFFFAOYSA-N
XLogP0.89
TPSA66.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-(3,4-dimethoxypyrrolidin-1-yl)-4-fluoro-5-iodoaniline
CID 103530646
[4-(7-amino-2,3-dihydro-1,4-benzodioxin-6-yl)-6-methylmorpholin-2-yl]methanol
CID 102931988
3-amino-4-(3,4-dimethoxypyrrolidin-1-yl)benzenesulfonamide
CID 103530617
6-piperazin-1-yl-2,3-dihydro-1,4-benzodioxin-7-amine
CID 62137118
6-(2,6-dimethylpiperidin-1-yl)-2,3-dihydro-1,4-benzodioxin-7-amine
CID 43824741
6-(2,5-dimethylmorpholin-4-yl)-2,3-dihydro-1,4-benzodioxin-7-amine
CID 43544460
2-(3,4-dimethoxypyrrolidin-1-yl)-4,6-difluoroaniline
CID 103530569
6-(1,3-dihydroisoindol-2-yl)-2,3-dihydro-1,4-benzodioxin-7-amine
CID 62204823
4-(7-amino-2,3-dihydro-1,4-benzodioxin-6-yl)morpholine-2-carbonitrile
CID 79675044
methyl 4-amino-3-(3,4-dimethoxypyrrolidin-1-yl)benzoate
CID 103537196
6-(2,2-dimethylmorpholin-4-yl)-2,3-dihydro-1,4-benzodioxin-7-amine
CID 43592539
4-(3,4-dimethoxypyrrolidin-1-yl)-2-methoxyaniline
CID 103530677

Frequently Asked Questions

What is the IUPAC name of 6-(3,4-dimethoxypyrrolidin-1-yl)-2,3-dihydro-1,4-benzodioxin-7-amine?
The IUPAC name of 6-(3,4-dimethoxypyrrolidin-1-yl)-2,3-dihydro-1,4-benzodioxin-7-amine (CID 103530636) is 6-(3,4-dimethoxypyrrolidin-1-yl)-2,3-dihydro-1,4-benzodioxin-7-amine.
What is the SMILES notation for 6-(3,4-dimethoxypyrrolidin-1-yl)-2,3-dihydro-1,4-benzodioxin-7-amine?
The canonical SMILES for 6-(3,4-dimethoxypyrrolidin-1-yl)-2,3-dihydro-1,4-benzodioxin-7-amine is COC1CN(c2cc3c(cc2N)OCCO3)CC1OC.
What is the InChIKey of 6-(3,4-dimethoxypyrrolidin-1-yl)-2,3-dihydro-1,4-benzodioxin-7-amine?
The InChIKey is OUUCREGDZGLCMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4/c1-17-13-7-16(8-14(13)18-2)10-6-12-11(5-9(10)15)19-3-4-20-12/h5-6,13-14H,3-4,7-8,15H2,1-2H3.
What are the key properties of 6-(3,4-dimethoxypyrrolidin-1-yl)-2,3-dihydro-1,4-benzodioxin-7-amine?
6-(3,4-dimethoxypyrrolidin-1-yl)-2,3-dihydro-1,4-benzodioxin-7-amine has a molecular weight of 280.32 g/mol, XLogP of 0.89, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,4-dimethoxypyrrolidin-1-yl)-2,3-dihydro-1,4-benzodioxin-7-amine is sourced from PubChem (CID 103530636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).