N,N-dimethyl-1-(4-methylphenyl)spiro[1H-2-benzofuran-3,4'-cyclohexane]-1'-amine

C22H27NO — CID 12717464

IUPACN,N-dimethyl-1-(4-methylphenyl)spiro[1H-2-benzofuran-3,4'-cyclohexane]-1'-amine
SMILESCc1ccc(C2OC3(CCC(N(C)C)CC3)c3ccccc32)cc1
InChIInChI=1S/C22H27NO/c1-16-8-10-17(11-9-16)21-19-6-4-5-7-20(19)22(24-21)14-12-18(13-15-22)23(2)3/h4-11,18,21H,12-15H2,1-3H3
InChIKeyUUQDWGOXJOEYQF-UHFFFAOYSA-N
MW321.46 g/mol
LogP4.81
Rot. Bonds2

About N,N-dimethyl-1-(4-methylphenyl)spiro[1H-2-benzofuran-3,4'-cyclohexane]-1'-amine

N,N-dimethyl-1-(4-methylphenyl)spiro[1H-2-benzofuran-3,4'-cyclohexane]-1'-amine (PubChem CID 12717464) has the molecular formula C22H27NO and a molecular weight of 321.46 g/mol. Its IUPAC name is N,N-dimethyl-1-(4-methylphenyl)spiro[1H-2-benzofuran-3,4'-cyclohexane]-1'-amine.

Molecular Properties

Compound NameN,N-dimethyl-1-(4-methylphenyl)spiro[1H-2-benzofuran-3,4'-cyclohexane]-1'-amine
PubChem CID12717464
Molecular FormulaC22H27NO
Molecular Weight321.46 g/mol
Exact Mass321.21
IUPAC NameN,N-dimethyl-1-(4-methylphenyl)spiro[1H-2-benzofuran-3,4'-cyclohexane]-1'-amine
SMILESCc1ccc(C2OC3(CCC(N(C)C)CC3)c3ccccc32)cc1
InChIInChI=1S/C22H27NO/c1-16-8-10-17(11-9-16)21-19-6-4-5-7-20(19)22(24-21)14-12-18(13-15-22)23(2)3/h4-11,18,21H,12-15H2,1-3H3
InChIKeyUUQDWGOXJOEYQF-UHFFFAOYSA-N
XLogP4.81
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.46
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N,N-dimethyl-1-(4-methylphenyl)spiro[1H-2-benzofuran-3,4'-cyclohexane]-1'-amine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-(4-methylphenyl)spiro[1H-2-benzofuran-3,4'-cyclohexane]-1'-amine?
The IUPAC name of N,N-dimethyl-1-(4-methylphenyl)spiro[1H-2-benzofuran-3,4'-cyclohexane]-1'-amine (CID 12717464) is N,N-dimethyl-1-(4-methylphenyl)spiro[1H-2-benzofuran-3,4'-cyclohexane]-1'-amine.
What is the SMILES notation for N,N-dimethyl-1-(4-methylphenyl)spiro[1H-2-benzofuran-3,4'-cyclohexane]-1'-amine?
The canonical SMILES for N,N-dimethyl-1-(4-methylphenyl)spiro[1H-2-benzofuran-3,4'-cyclohexane]-1'-amine is Cc1ccc(C2OC3(CCC(N(C)C)CC3)c3ccccc32)cc1.
What is the InChIKey of N,N-dimethyl-1-(4-methylphenyl)spiro[1H-2-benzofuran-3,4'-cyclohexane]-1'-amine?
The InChIKey is UUQDWGOXJOEYQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27NO/c1-16-8-10-17(11-9-16)21-19-6-4-5-7-20(19)22(24-21)14-12-18(13-15-22)23(2)3/h4-11,18,21H,12-15H2,1-3H3.
What are the key properties of N,N-dimethyl-1-(4-methylphenyl)spiro[1H-2-benzofuran-3,4'-cyclohexane]-1'-amine?
N,N-dimethyl-1-(4-methylphenyl)spiro[1H-2-benzofuran-3,4'-cyclohexane]-1'-amine has a molecular weight of 321.46 g/mol, XLogP of 4.81, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-(4-methylphenyl)spiro[1H-2-benzofuran-3,4'-cyclohexane]-1'-amine is sourced from PubChem (CID 12717464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).