(4R)-4-(4-methylphenyl)spiro[2,3-benzodioxine-1,1'-cyclohexane]-4-amine

C20H23NO2 — CID 139037223

IUPAC(4R)-4-(4-methylphenyl)spiro[2,3-benzodioxine-1,1'-cyclohexane]-4-amine
SMILESCc1ccc([C@@]2(N)OOC3(CCCCC3)c3ccccc32)cc1
InChIInChI=1S/C20H23NO2/c1-15-9-11-16(12-10-15)20(21)18-8-4-3-7-17(18)19(22-23-20)13-5-2-6-14-19/h3-4,7-12H,2,5-6,13-14,21H2,1H3/t20-/m1/s1
InChIKeyGQRLCWHPXAUOAS-HXUWFJFHSA-N
MW309.41 g/mol
LogP4.28
Rot. Bonds1

About (4R)-4-(4-methylphenyl)spiro[2,3-benzodioxine-1,1'-cyclohexane]-4-amine

(4R)-4-(4-methylphenyl)spiro[2,3-benzodioxine-1,1'-cyclohexane]-4-amine (PubChem CID 139037223) has the molecular formula C20H23NO2 and a molecular weight of 309.41 g/mol. Its IUPAC name is (4R)-4-(4-methylphenyl)spiro[2,3-benzodioxine-1,1'-cyclohexane]-4-amine.

Molecular Properties

Compound Name(4R)-4-(4-methylphenyl)spiro[2,3-benzodioxine-1,1'-cyclohexane]-4-amine
PubChem CID139037223
Molecular FormulaC20H23NO2
Molecular Weight309.41 g/mol
Exact Mass309.17
IUPAC Name(4R)-4-(4-methylphenyl)spiro[2,3-benzodioxine-1,1'-cyclohexane]-4-amine
SMILESCc1ccc([C@@]2(N)OOC3(CCCCC3)c3ccccc32)cc1
InChIInChI=1S/C20H23NO2/c1-15-9-11-16(12-10-15)20(21)18-8-4-3-7-17(18)19(22-23-20)13-5-2-6-14-19/h3-4,7-12H,2,5-6,13-14,21H2,1H3/t20-/m1/s1
InChIKeyGQRLCWHPXAUOAS-HXUWFJFHSA-N
XLogP4.28
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (4R)-4-(4-methylphenyl)spiro[2,3-benzodioxine-1,1'-cyclohexane]-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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
4-[4-(Trifluoromethyl)phenyl]spiro[7,8-dihydro-2,3-benzodioxine-1,1'-cyclohexane]-4-amine
CID 162593201
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
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-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 (4R)-4-(4-methylphenyl)spiro[2,3-benzodioxine-1,1'-cyclohexane]-4-amine?
The IUPAC name of (4R)-4-(4-methylphenyl)spiro[2,3-benzodioxine-1,1'-cyclohexane]-4-amine (CID 139037223) is (4R)-4-(4-methylphenyl)spiro[2,3-benzodioxine-1,1'-cyclohexane]-4-amine.
What is the SMILES notation for (4R)-4-(4-methylphenyl)spiro[2,3-benzodioxine-1,1'-cyclohexane]-4-amine?
The canonical SMILES for (4R)-4-(4-methylphenyl)spiro[2,3-benzodioxine-1,1'-cyclohexane]-4-amine is Cc1ccc([C@@]2(N)OOC3(CCCCC3)c3ccccc32)cc1.
What is the InChIKey of (4R)-4-(4-methylphenyl)spiro[2,3-benzodioxine-1,1'-cyclohexane]-4-amine?
The InChIKey is GQRLCWHPXAUOAS-HXUWFJFHSA-N. The full InChI is InChI=1S/C20H23NO2/c1-15-9-11-16(12-10-15)20(21)18-8-4-3-7-17(18)19(22-23-20)13-5-2-6-14-19/h3-4,7-12H,2,5-6,13-14,21H2,1H3/t20-/m1/s1.
What are the key properties of (4R)-4-(4-methylphenyl)spiro[2,3-benzodioxine-1,1'-cyclohexane]-4-amine?
(4R)-4-(4-methylphenyl)spiro[2,3-benzodioxine-1,1'-cyclohexane]-4-amine has a molecular weight of 309.41 g/mol, XLogP of 4.28, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-(4-methylphenyl)spiro[2,3-benzodioxine-1,1'-cyclohexane]-4-amine is sourced from PubChem (CID 139037223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).