(1R)-N-methyl-1-phenylspiro[1H-2-benzofuran-3,4'-cyclohexane]-1'-amine

C20H23NO — CID 22815698

IUPAC(1R)-N-methyl-1-phenylspiro[1H-2-benzofuran-3,4'-cyclohexane]-1'-amine
SMILESCNC1CCC2(CC1)O[C@H](c1ccccc1)c1ccccc12
InChIInChI=1S/C20H23NO/c1-21-16-11-13-20(14-12-16)18-10-6-5-9-17(18)19(22-20)15-7-3-2-4-8-15/h2-10,16,19,21H,11-14H2,1H3/t16?,19-,20?/m1/s1
InChIKeyMNOALQPMPXJQJD-NQKNOSNGSA-N
MW293.41 g/mol
LogP4.16
Rot. Bonds2

About (1R)-N-methyl-1-phenylspiro[1H-2-benzofuran-3,4'-cyclohexane]-1'-amine

(1R)-N-methyl-1-phenylspiro[1H-2-benzofuran-3,4'-cyclohexane]-1'-amine (PubChem CID 22815698) has the molecular formula C20H23NO and a molecular weight of 293.41 g/mol. Its IUPAC name is (1R)-N-methyl-1-phenylspiro[1H-2-benzofuran-3,4'-cyclohexane]-1'-amine.

Molecular Properties

Compound Name(1R)-N-methyl-1-phenylspiro[1H-2-benzofuran-3,4'-cyclohexane]-1'-amine
PubChem CID22815698
Molecular FormulaC20H23NO
Molecular Weight293.41 g/mol
Exact Mass293.18
IUPAC Name(1R)-N-methyl-1-phenylspiro[1H-2-benzofuran-3,4'-cyclohexane]-1'-amine
SMILESCNC1CCC2(CC1)O[C@H](c1ccccc1)c1ccccc12
InChIInChI=1S/C20H23NO/c1-21-16-11-13-20(14-12-16)18-10-6-5-9-17(18)19(22-20)15-7-3-2-4-8-15/h2-10,16,19,21H,11-14H2,1H3/t16?,19-,20?/m1/s1
InChIKeyMNOALQPMPXJQJD-NQKNOSNGSA-N
XLogP4.16
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (1R)-N-methyl-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 (1R)-N-methyl-1-phenylspiro[1H-2-benzofuran-3,4'-cyclohexane]-1'-amine?
The IUPAC name of (1R)-N-methyl-1-phenylspiro[1H-2-benzofuran-3,4'-cyclohexane]-1'-amine (CID 22815698) is (1R)-N-methyl-1-phenylspiro[1H-2-benzofuran-3,4'-cyclohexane]-1'-amine.
What is the SMILES notation for (1R)-N-methyl-1-phenylspiro[1H-2-benzofuran-3,4'-cyclohexane]-1'-amine?
The canonical SMILES for (1R)-N-methyl-1-phenylspiro[1H-2-benzofuran-3,4'-cyclohexane]-1'-amine is CNC1CCC2(CC1)O[C@H](c1ccccc1)c1ccccc12.
What is the InChIKey of (1R)-N-methyl-1-phenylspiro[1H-2-benzofuran-3,4'-cyclohexane]-1'-amine?
The InChIKey is MNOALQPMPXJQJD-NQKNOSNGSA-N. The full InChI is InChI=1S/C20H23NO/c1-21-16-11-13-20(14-12-16)18-10-6-5-9-17(18)19(22-20)15-7-3-2-4-8-15/h2-10,16,19,21H,11-14H2,1H3/t16?,19-,20?/m1/s1.
What are the key properties of (1R)-N-methyl-1-phenylspiro[1H-2-benzofuran-3,4'-cyclohexane]-1'-amine?
(1R)-N-methyl-1-phenylspiro[1H-2-benzofuran-3,4'-cyclohexane]-1'-amine has a molecular weight of 293.41 g/mol, XLogP of 4.16, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N-methyl-1-phenylspiro[1H-2-benzofuran-3,4'-cyclohexane]-1'-amine is sourced from PubChem (CID 22815698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).