1-(4-fluorophenyl)-N,N-dimethylspiro[1H-2-benzofuran-3,4'-cyclohexane]-1'-amine

C21H24FNO — CID 12717460

IUPAC1-(4-fluorophenyl)-N,N-dimethylspiro[1H-2-benzofuran-3,4'-cyclohexane]-1'-amine
SMILESCN(C)C1CCC2(CC1)OC(c1ccc(F)cc1)c1ccccc12
InChIInChI=1S/C21H24FNO/c1-23(2)17-11-13-21(14-12-17)19-6-4-3-5-18(19)20(24-21)15-7-9-16(22)10-8-15/h3-10,17,20H,11-14H2,1-2H3
InChIKeyKUOVTWGERDLEKI-UHFFFAOYSA-N
MW325.43 g/mol
LogP4.64
Rot. Bonds2

About 1-(4-fluorophenyl)-N,N-dimethylspiro[1H-2-benzofuran-3,4'-cyclohexane]-1'-amine

1-(4-fluorophenyl)-N,N-dimethylspiro[1H-2-benzofuran-3,4'-cyclohexane]-1'-amine (PubChem CID 12717460) has the molecular formula C21H24FNO and a molecular weight of 325.43 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N,N-dimethylspiro[1H-2-benzofuran-3,4'-cyclohexane]-1'-amine.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N,N-dimethylspiro[1H-2-benzofuran-3,4'-cyclohexane]-1'-amine
PubChem CID12717460
Molecular FormulaC21H24FNO
Molecular Weight325.43 g/mol
Exact Mass325.18
IUPAC Name1-(4-fluorophenyl)-N,N-dimethylspiro[1H-2-benzofuran-3,4'-cyclohexane]-1'-amine
SMILESCN(C)C1CCC2(CC1)OC(c1ccc(F)cc1)c1ccccc12
InChIInChI=1S/C21H24FNO/c1-23(2)17-11-13-21(14-12-17)19-6-4-3-5-18(19)20(24-21)15-7-9-16(22)10-8-15/h3-10,17,20H,11-14H2,1-2H3
InChIKeyKUOVTWGERDLEKI-UHFFFAOYSA-N
XLogP4.64
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.43
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N,N-dimethylspiro[1H-2-benzofuran-3,4'-cyclohexane]-1'-amine?
The IUPAC name of 1-(4-fluorophenyl)-N,N-dimethylspiro[1H-2-benzofuran-3,4'-cyclohexane]-1'-amine (CID 12717460) is 1-(4-fluorophenyl)-N,N-dimethylspiro[1H-2-benzofuran-3,4'-cyclohexane]-1'-amine.
What is the SMILES notation for 1-(4-fluorophenyl)-N,N-dimethylspiro[1H-2-benzofuran-3,4'-cyclohexane]-1'-amine?
The canonical SMILES for 1-(4-fluorophenyl)-N,N-dimethylspiro[1H-2-benzofuran-3,4'-cyclohexane]-1'-amine is CN(C)C1CCC2(CC1)OC(c1ccc(F)cc1)c1ccccc12.
What is the InChIKey of 1-(4-fluorophenyl)-N,N-dimethylspiro[1H-2-benzofuran-3,4'-cyclohexane]-1'-amine?
The InChIKey is KUOVTWGERDLEKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24FNO/c1-23(2)17-11-13-21(14-12-17)19-6-4-3-5-18(19)20(24-21)15-7-9-16(22)10-8-15/h3-10,17,20H,11-14H2,1-2H3.
What are the key properties of 1-(4-fluorophenyl)-N,N-dimethylspiro[1H-2-benzofuran-3,4'-cyclohexane]-1'-amine?
1-(4-fluorophenyl)-N,N-dimethylspiro[1H-2-benzofuran-3,4'-cyclohexane]-1'-amine has a molecular weight of 325.43 g/mol, XLogP of 4.64, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N,N-dimethylspiro[1H-2-benzofuran-3,4'-cyclohexane]-1'-amine is sourced from PubChem (CID 12717460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).