1,1-dimethyl-4-(4-methylphenyl)-2,3-benzodioxin-4-amine

C17H19NO2 — CID 72944661

IUPAC1,1-dimethyl-4-(4-methylphenyl)-2,3-benzodioxin-4-amine
SMILESCc1ccc(C2(N)OOC(C)(C)c3ccccc32)cc1
InChIInChI=1S/C17H19NO2/c1-12-8-10-13(11-9-12)17(18)15-7-5-4-6-14(15)16(2,3)19-20-17/h4-11H,18H2,1-3H3
InChIKeyGAYZDPFZZMUCCF-UHFFFAOYSA-N
MW269.34 g/mol
LogP3.35
Rot. Bonds1

About 1,1-dimethyl-4-(4-methylphenyl)-2,3-benzodioxin-4-amine

1,1-dimethyl-4-(4-methylphenyl)-2,3-benzodioxin-4-amine (PubChem CID 72944661) has the molecular formula C17H19NO2 and a molecular weight of 269.34 g/mol. Its IUPAC name is 1,1-dimethyl-4-(4-methylphenyl)-2,3-benzodioxin-4-amine.

Molecular Properties

Compound Name1,1-dimethyl-4-(4-methylphenyl)-2,3-benzodioxin-4-amine
PubChem CID72944661
Molecular FormulaC17H19NO2
Molecular Weight269.34 g/mol
Exact Mass269.14
IUPAC Name1,1-dimethyl-4-(4-methylphenyl)-2,3-benzodioxin-4-amine
SMILESCc1ccc(C2(N)OOC(C)(C)c3ccccc32)cc1
InChIInChI=1S/C17H19NO2/c1-12-8-10-13(11-9-12)17(18)15-7-5-4-6-14(15)16(2,3)19-20-17/h4-11H,18H2,1-3H3
InChIKeyGAYZDPFZZMUCCF-UHFFFAOYSA-N
XLogP3.35
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[4-(Trifluoromethyl)phenyl]spiro[2,3-benzodioxine-1,1'-cyclohexane]-4-amine
CID 72944546
4-(4-Fluorophenyl)spiro[2,3-benzodioxine-1,1'-cyclohexane]-4-amine
CID 72944549
4-(4-Fluorocyclohepta-1,3-dien-5-yn-1-yl)spiro[2,3-benzodioxine-1,1'-cyclohexane]-4-amine
CID 123897535
(4R)-4-(4-methylphenyl)spiro[2,3-benzodioxine-1,1'-cyclohexane]-4-amine
CID 139037223
4-[4-(Trifluoromethyl)phenyl]spiro[7,8-dihydro-2,3-benzodioxine-1,1'-cyclohexane]-4-amine
CID 162593201
2-[4-(2-Tert-butylperoxypropan-2-yl)phenyl]propan-2-amine
CID 19380028
2-[4-(2-Tert-butylperoxypropan-2-yl)phenyl]propan-2-amine;hydrochloride
CID 19380040
O-[amino-phenyl-(2,3,4,5-tetraethylphenyl)methyl]hydroxylamine
CID 54232305
4-(4-Methylphenyl)spiro[2,3-benzodioxine-1,1'-cyclohexane]-4-amine
CID 72710884
4-(3-Chlorophenyl)spiro[2,3-benzodioxine-1,1'-cyclohexane]-4-amine
CID 72944550
4-Naphthalen-2-ylspiro[2,3-benzodioxine-1,1'-cyclohexane]-4-amine
CID 72944551
4-Phenylspiro[2,3-benzodioxine-1,1'-cyclohexane]-4-amine
CID 72944656

Frequently Asked Questions

What is the IUPAC name of 1,1-dimethyl-4-(4-methylphenyl)-2,3-benzodioxin-4-amine?
The IUPAC name of 1,1-dimethyl-4-(4-methylphenyl)-2,3-benzodioxin-4-amine (CID 72944661) is 1,1-dimethyl-4-(4-methylphenyl)-2,3-benzodioxin-4-amine.
What is the SMILES notation for 1,1-dimethyl-4-(4-methylphenyl)-2,3-benzodioxin-4-amine?
The canonical SMILES for 1,1-dimethyl-4-(4-methylphenyl)-2,3-benzodioxin-4-amine is Cc1ccc(C2(N)OOC(C)(C)c3ccccc32)cc1.
What is the InChIKey of 1,1-dimethyl-4-(4-methylphenyl)-2,3-benzodioxin-4-amine?
The InChIKey is GAYZDPFZZMUCCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO2/c1-12-8-10-13(11-9-12)17(18)15-7-5-4-6-14(15)16(2,3)19-20-17/h4-11H,18H2,1-3H3.
What are the key properties of 1,1-dimethyl-4-(4-methylphenyl)-2,3-benzodioxin-4-amine?
1,1-dimethyl-4-(4-methylphenyl)-2,3-benzodioxin-4-amine has a molecular weight of 269.34 g/mol, XLogP of 3.35, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dimethyl-4-(4-methylphenyl)-2,3-benzodioxin-4-amine is sourced from PubChem (CID 72944661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).