N,N-dimethyl-1-phenylspiro[1H-2-benzofuran-3,4'-cyclohexane]-1'-amine

C21H25NO — CID 12717458

IUPACN,N-dimethyl-1-phenylspiro[1H-2-benzofuran-3,4'-cyclohexane]-1'-amine
SMILESCN(C)C1CCC2(CC1)OC(c1ccccc1)c1ccccc12
InChIInChI=1S/C21H25NO/c1-22(2)17-12-14-21(15-13-17)19-11-7-6-10-18(19)20(23-21)16-8-4-3-5-9-16/h3-11,17,20H,12-15H2,1-2H3
InChIKeyXWKWJLYPSGDFBE-UHFFFAOYSA-N
MW307.44 g/mol
LogP4.51
Rot. Bonds2

About N,N-dimethyl-1-phenylspiro[1H-2-benzofuran-3,4'-cyclohexane]-1'-amine

N,N-dimethyl-1-phenylspiro[1H-2-benzofuran-3,4'-cyclohexane]-1'-amine (PubChem CID 12717458) has the molecular formula C21H25NO and a molecular weight of 307.44 g/mol. Its IUPAC name is N,N-dimethyl-1-phenylspiro[1H-2-benzofuran-3,4'-cyclohexane]-1'-amine.

Molecular Properties

Compound NameN,N-dimethyl-1-phenylspiro[1H-2-benzofuran-3,4'-cyclohexane]-1'-amine
PubChem CID12717458
Molecular FormulaC21H25NO
Molecular Weight307.44 g/mol
Exact Mass307.19
IUPAC NameN,N-dimethyl-1-phenylspiro[1H-2-benzofuran-3,4'-cyclohexane]-1'-amine
SMILESCN(C)C1CCC2(CC1)OC(c1ccccc1)c1ccccc12
InChIInChI=1S/C21H25NO/c1-22(2)17-12-14-21(15-13-17)19-11-7-6-10-18(19)20(23-21)16-8-4-3-5-9-16/h3-11,17,20H,12-15H2,1-2H3
InChIKeyXWKWJLYPSGDFBE-UHFFFAOYSA-N
XLogP4.51
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.44
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N,N-dimethyl-1-phenylspiro[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-phenylspiro[1H-2-benzofuran-3,4'-cyclohexane]-1'-amine?
The IUPAC name of N,N-dimethyl-1-phenylspiro[1H-2-benzofuran-3,4'-cyclohexane]-1'-amine (CID 12717458) is N,N-dimethyl-1-phenylspiro[1H-2-benzofuran-3,4'-cyclohexane]-1'-amine.
What is the SMILES notation for N,N-dimethyl-1-phenylspiro[1H-2-benzofuran-3,4'-cyclohexane]-1'-amine?
The canonical SMILES for N,N-dimethyl-1-phenylspiro[1H-2-benzofuran-3,4'-cyclohexane]-1'-amine is CN(C)C1CCC2(CC1)OC(c1ccccc1)c1ccccc12.
What is the InChIKey of N,N-dimethyl-1-phenylspiro[1H-2-benzofuran-3,4'-cyclohexane]-1'-amine?
The InChIKey is XWKWJLYPSGDFBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO/c1-22(2)17-12-14-21(15-13-17)19-11-7-6-10-18(19)20(23-21)16-8-4-3-5-9-16/h3-11,17,20H,12-15H2,1-2H3.
What are the key properties of N,N-dimethyl-1-phenylspiro[1H-2-benzofuran-3,4'-cyclohexane]-1'-amine?
N,N-dimethyl-1-phenylspiro[1H-2-benzofuran-3,4'-cyclohexane]-1'-amine has a molecular weight of 307.44 g/mol, XLogP of 4.51, 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-phenylspiro[1H-2-benzofuran-3,4'-cyclohexane]-1'-amine is sourced from PubChem (CID 12717458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).