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

C23H23NO2 — CID 72944551

IUPAC4-naphthalen-2-ylspiro[2,3-benzodioxine-1,1'-cyclohexane]-4-amine
SMILESNC1(c2ccc3ccccc3c2)OOC2(CCCCC2)c2ccccc21
InChIInChI=1S/C23H23NO2/c24-23(19-13-12-17-8-2-3-9-18(17)16-19)21-11-5-4-10-20(21)22(25-26-23)14-6-1-7-15-22/h2-5,8-13,16H,1,6-7,14-15,24H2
InChIKeyOTNQJEBGKZCBEP-UHFFFAOYSA-N
MW345.44 g/mol
LogP5.12
Rot. Bonds1

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

4-naphthalen-2-ylspiro[2,3-benzodioxine-1,1'-cyclohexane]-4-amine (PubChem CID 72944551) has the molecular formula C23H23NO2 and a molecular weight of 345.44 g/mol. Its IUPAC name is 4-naphthalen-2-ylspiro[2,3-benzodioxine-1,1'-cyclohexane]-4-amine.

Molecular Properties

Compound Name4-naphthalen-2-ylspiro[2,3-benzodioxine-1,1'-cyclohexane]-4-amine
PubChem CID72944551
Molecular FormulaC23H23NO2
Molecular Weight345.44 g/mol
Exact Mass345.17
IUPAC Name4-naphthalen-2-ylspiro[2,3-benzodioxine-1,1'-cyclohexane]-4-amine
SMILESNC1(c2ccc3ccccc3c2)OOC2(CCCCC2)c2ccccc21
InChIInChI=1S/C23H23NO2/c24-23(19-13-12-17-8-2-3-9-18(17)16-19)21-11-5-4-10-20(21)22(25-26-23)14-6-1-7-15-22/h2-5,8-13,16H,1,6-7,14-15,24H2
InChIKeyOTNQJEBGKZCBEP-UHFFFAOYSA-N
XLogP5.12
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.44
LogP ≤ 55.12
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
(4R)-4-(4-methylphenyl)spiro[2,3-benzodioxine-1,1'-cyclohexane]-4-amine
CID 139037223
1,12,15,16-Tetramethyl-3,10-diphenyl-13,14-dioxatetracyclo[10.2.2.02,11.04,9]hexadeca-2,4,6,8,10,15-hexaene
CID 100963756
2-Amino-1,1-bis(3-methylphenyl)-2-naphthalen-2-ylethanol
CID 23091220
2-Amino-1,1-bis(4-methylphenyl)-2-naphthalen-2-ylethanol
CID 23091375
2-Amino-1,1-bis(4-methylphenyl)-2-naphthalen-1-ylethanol
CID 23091392
2-Amino-2-naphthalen-2-yl-1,1-diphenylethanol
CID 23091424
2-[1-[2-(2-Aminopropan-2-yl)naphthalen-1-yl]naphthalen-2-yl]propan-2-ol
CID 59341606
(2R)-2-amino-2-naphthalen-2-yl-1,1-diphenylethanol
CID 66807812
(2R)-2-amino-1,1-bis(4-methylphenyl)-2-naphthalen-1-ylethanol
CID 66807869
(2R)-2-amino-1,1-bis(4-methylphenyl)-2-naphthalen-2-ylethanol
CID 66807910

Frequently Asked Questions

What is the IUPAC name of 4-naphthalen-2-ylspiro[2,3-benzodioxine-1,1'-cyclohexane]-4-amine?
The IUPAC name of 4-naphthalen-2-ylspiro[2,3-benzodioxine-1,1'-cyclohexane]-4-amine (CID 72944551) is 4-naphthalen-2-ylspiro[2,3-benzodioxine-1,1'-cyclohexane]-4-amine.
What is the SMILES notation for 4-naphthalen-2-ylspiro[2,3-benzodioxine-1,1'-cyclohexane]-4-amine?
The canonical SMILES for 4-naphthalen-2-ylspiro[2,3-benzodioxine-1,1'-cyclohexane]-4-amine is NC1(c2ccc3ccccc3c2)OOC2(CCCCC2)c2ccccc21.
What is the InChIKey of 4-naphthalen-2-ylspiro[2,3-benzodioxine-1,1'-cyclohexane]-4-amine?
The InChIKey is OTNQJEBGKZCBEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23NO2/c24-23(19-13-12-17-8-2-3-9-18(17)16-19)21-11-5-4-10-20(21)22(25-26-23)14-6-1-7-15-22/h2-5,8-13,16H,1,6-7,14-15,24H2.
What are the key properties of 4-naphthalen-2-ylspiro[2,3-benzodioxine-1,1'-cyclohexane]-4-amine?
4-naphthalen-2-ylspiro[2,3-benzodioxine-1,1'-cyclohexane]-4-amine has a molecular weight of 345.44 g/mol, XLogP of 5.12, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-naphthalen-2-ylspiro[2,3-benzodioxine-1,1'-cyclohexane]-4-amine is sourced from PubChem (CID 72944551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).