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

C12H18N2O3 — CID 43115374

IUPAC6-N-(1-methoxypropan-2-yl)-2,3-dihydro-1,4-benzodioxine-6,7-diamine
SMILESCOCC(C)Nc1cc2c(cc1N)OCCO2
InChIInChI=1S/C12H18N2O3/c1-8(7-15-2)14-10-6-12-11(5-9(10)13)16-3-4-17-12/h5-6,8,14H,3-4,7,13H2,1-2H3
InChIKeySKRIPVVUZZIBMV-UHFFFAOYSA-N
MW238.29 g/mol
LogP1.49
Rot. Bonds4

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

6-N-(1-methoxypropan-2-yl)-2,3-dihydro-1,4-benzodioxine-6,7-diamine (PubChem CID 43115374) has the molecular formula C12H18N2O3 and a molecular weight of 238.29 g/mol. Its IUPAC name is 6-N-(1-methoxypropan-2-yl)-2,3-dihydro-1,4-benzodioxine-6,7-diamine.

Molecular Properties

Compound Name6-N-(1-methoxypropan-2-yl)-2,3-dihydro-1,4-benzodioxine-6,7-diamine
PubChem CID43115374
Molecular FormulaC12H18N2O3
Molecular Weight238.29 g/mol
Exact Mass238.13
IUPAC Name6-N-(1-methoxypropan-2-yl)-2,3-dihydro-1,4-benzodioxine-6,7-diamine
SMILESCOCC(C)Nc1cc2c(cc1N)OCCO2
InChIInChI=1S/C12H18N2O3/c1-8(7-15-2)14-10-6-12-11(5-9(10)13)16-3-4-17-12/h5-6,8,14H,3-4,7,13H2,1-2H3
InChIKeySKRIPVVUZZIBMV-UHFFFAOYSA-N
XLogP1.49
TPSA65.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

6-N-(4-methoxybutan-2-yl)-2,3-dihydro-1,4-benzodioxine-6,7-diamine
CID 64602791
N-(7-amino-2,3-dihydro-1,4-benzodioxin-6-yl)-2-methoxyethanesulfonamide
CID 55010119
4-fluoro-1-N-(1-methoxypropan-2-yl)-5-propan-2-yloxybenzene-1,2-diamine
CID 55216085
N-(7-amino-2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylbutanamide
CID 43548167
4-amino-3-(1-methoxypropan-2-ylamino)benzonitrile
CID 104711374
2-[(7-amino-2,3-dihydro-1,4-benzodioxin-6-yl)amino]-N-propan-2-ylacetamide
CID 43567840
1-(7-amino-2,3-dihydro-1,4-benzodioxin-6-yl)-3-propan-2-ylurea
CID 43551276
2-fluoro-5-methoxy-1-N-(1-methoxypropan-2-yl)benzene-1,4-diamine
CID 107258627
2-chloro-1-N-(1-methoxypropan-2-yl)benzene-1,4-diamine
CID 43115381
N-(8-amino-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-methylbutane-1-sulfonamide
CID 63858004
1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-3-methoxypropan-2-amine
CID 107511541
6-N-(methylsulfamoyl)-2,3-dihydro-1,4-benzodioxine-6,7-diamine
CID 114804542

Frequently Asked Questions

What is the IUPAC name of 6-N-(1-methoxypropan-2-yl)-2,3-dihydro-1,4-benzodioxine-6,7-diamine?
The IUPAC name of 6-N-(1-methoxypropan-2-yl)-2,3-dihydro-1,4-benzodioxine-6,7-diamine (CID 43115374) is 6-N-(1-methoxypropan-2-yl)-2,3-dihydro-1,4-benzodioxine-6,7-diamine.
What is the SMILES notation for 6-N-(1-methoxypropan-2-yl)-2,3-dihydro-1,4-benzodioxine-6,7-diamine?
The canonical SMILES for 6-N-(1-methoxypropan-2-yl)-2,3-dihydro-1,4-benzodioxine-6,7-diamine is COCC(C)Nc1cc2c(cc1N)OCCO2.
What is the InChIKey of 6-N-(1-methoxypropan-2-yl)-2,3-dihydro-1,4-benzodioxine-6,7-diamine?
The InChIKey is SKRIPVVUZZIBMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3/c1-8(7-15-2)14-10-6-12-11(5-9(10)13)16-3-4-17-12/h5-6,8,14H,3-4,7,13H2,1-2H3.
What are the key properties of 6-N-(1-methoxypropan-2-yl)-2,3-dihydro-1,4-benzodioxine-6,7-diamine?
6-N-(1-methoxypropan-2-yl)-2,3-dihydro-1,4-benzodioxine-6,7-diamine has a molecular weight of 238.29 g/mol, XLogP of 1.49, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(1-methoxypropan-2-yl)-2,3-dihydro-1,4-benzodioxine-6,7-diamine is sourced from PubChem (CID 43115374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).