4-phenylspiro[2,3-benzodioxine-1,1'-cyclohexane]-4-amine

C19H21NO2 — CID 72944656

IUPAC4-phenylspiro[2,3-benzodioxine-1,1'-cyclohexane]-4-amine
SMILESNC1(c2ccccc2)OOC2(CCCCC2)c2ccccc21
InChIInChI=1S/C19H21NO2/c20-19(15-9-3-1-4-10-15)17-12-6-5-11-16(17)18(21-22-19)13-7-2-8-14-18/h1,3-6,9-12H,2,7-8,13-14,20H2
InChIKeyHMOCWNNYMHZSQP-UHFFFAOYSA-N
MW295.38 g/mol
LogP3.97
Rot. Bonds1

About 4-phenylspiro[2,3-benzodioxine-1,1'-cyclohexane]-4-amine

4-phenylspiro[2,3-benzodioxine-1,1'-cyclohexane]-4-amine (PubChem CID 72944656) has the molecular formula C19H21NO2 and a molecular weight of 295.38 g/mol. Its IUPAC name is 4-phenylspiro[2,3-benzodioxine-1,1'-cyclohexane]-4-amine.

Molecular Properties

Compound Name4-phenylspiro[2,3-benzodioxine-1,1'-cyclohexane]-4-amine
PubChem CID72944656
Molecular FormulaC19H21NO2
Molecular Weight295.38 g/mol
Exact Mass295.16
IUPAC Name4-phenylspiro[2,3-benzodioxine-1,1'-cyclohexane]-4-amine
SMILESNC1(c2ccccc2)OOC2(CCCCC2)c2ccccc21
InChIInChI=1S/C19H21NO2/c20-19(15-9-3-1-4-10-15)17-12-6-5-11-16(17)18(21-22-19)13-7-2-8-14-18/h1,3-6,9-12H,2,7-8,13-14,20H2
InChIKeyHMOCWNNYMHZSQP-UHFFFAOYSA-N
XLogP3.97
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 53.97
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
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-Azido-4-(4-methylphenyl)spiro[2,3-benzodioxine-1,1'-cyclohexane]
CID 72944659
4-Phenylspiro[7,8-dihydro-2,3-benzodioxine-1,1'-cyclohexane]-4-amine
CID 145700682
4-[(Z)-but-1-enyl]-5-methyl-3-(3-methylphenyl)-1,2-dioxaspiro[5.5]undec-4-en-3-amine
CID 145700683
4-ethenyl-3-(4-methylphenyl)-5-[(Z)-prop-1-enyl]-1,2-dioxaspiro[5.5]undec-4-en-3-amine
CID 145700690

Frequently Asked Questions

What is the IUPAC name of 4-phenylspiro[2,3-benzodioxine-1,1'-cyclohexane]-4-amine?
The IUPAC name of 4-phenylspiro[2,3-benzodioxine-1,1'-cyclohexane]-4-amine (CID 72944656) is 4-phenylspiro[2,3-benzodioxine-1,1'-cyclohexane]-4-amine.
What is the SMILES notation for 4-phenylspiro[2,3-benzodioxine-1,1'-cyclohexane]-4-amine?
The canonical SMILES for 4-phenylspiro[2,3-benzodioxine-1,1'-cyclohexane]-4-amine is NC1(c2ccccc2)OOC2(CCCCC2)c2ccccc21.
What is the InChIKey of 4-phenylspiro[2,3-benzodioxine-1,1'-cyclohexane]-4-amine?
The InChIKey is HMOCWNNYMHZSQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO2/c20-19(15-9-3-1-4-10-15)17-12-6-5-11-16(17)18(21-22-19)13-7-2-8-14-18/h1,3-6,9-12H,2,7-8,13-14,20H2.
What are the key properties of 4-phenylspiro[2,3-benzodioxine-1,1'-cyclohexane]-4-amine?
4-phenylspiro[2,3-benzodioxine-1,1'-cyclohexane]-4-amine has a molecular weight of 295.38 g/mol, XLogP of 3.97, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenylspiro[2,3-benzodioxine-1,1'-cyclohexane]-4-amine is sourced from PubChem (CID 72944656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).