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

C21H25NO — CID 12717484

IUPACN-methyl-1-(2-methylphenyl)spiro[1H-2-benzofuran-3,4'-cyclohexane]-1'-amine
SMILESCNC1CCC2(CC1)OC(c1ccccc1C)c1ccccc12
InChIInChI=1S/C21H25NO/c1-15-7-3-4-8-17(15)20-18-9-5-6-10-19(18)21(23-20)13-11-16(22-2)12-14-21/h3-10,16,20,22H,11-14H2,1-2H3
InChIKeyNOAROCLHEBVYJG-UHFFFAOYSA-N
MW307.44 g/mol
LogP4.47
Rot. Bonds2

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

N-methyl-1-(2-methylphenyl)spiro[1H-2-benzofuran-3,4'-cyclohexane]-1'-amine (PubChem CID 12717484) has the molecular formula C21H25NO and a molecular weight of 307.44 g/mol. Its IUPAC name is N-methyl-1-(2-methylphenyl)spiro[1H-2-benzofuran-3,4'-cyclohexane]-1'-amine.

Molecular Properties

Compound NameN-methyl-1-(2-methylphenyl)spiro[1H-2-benzofuran-3,4'-cyclohexane]-1'-amine
PubChem CID12717484
Molecular FormulaC21H25NO
Molecular Weight307.44 g/mol
Exact Mass307.19
IUPAC NameN-methyl-1-(2-methylphenyl)spiro[1H-2-benzofuran-3,4'-cyclohexane]-1'-amine
SMILESCNC1CCC2(CC1)OC(c1ccccc1C)c1ccccc12
InChIInChI=1S/C21H25NO/c1-15-7-3-4-8-17(15)20-18-9-5-6-10-19(18)21(23-20)13-11-16(22-2)12-14-21/h3-10,16,20,22H,11-14H2,1-2H3
InChIKeyNOAROCLHEBVYJG-UHFFFAOYSA-N
XLogP4.47
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.44
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(2-methylphenyl)spiro[1H-2-benzofuran-3,4'-cyclohexane]-1'-amine?
The IUPAC name of N-methyl-1-(2-methylphenyl)spiro[1H-2-benzofuran-3,4'-cyclohexane]-1'-amine (CID 12717484) is N-methyl-1-(2-methylphenyl)spiro[1H-2-benzofuran-3,4'-cyclohexane]-1'-amine.
What is the SMILES notation for N-methyl-1-(2-methylphenyl)spiro[1H-2-benzofuran-3,4'-cyclohexane]-1'-amine?
The canonical SMILES for N-methyl-1-(2-methylphenyl)spiro[1H-2-benzofuran-3,4'-cyclohexane]-1'-amine is CNC1CCC2(CC1)OC(c1ccccc1C)c1ccccc12.
What is the InChIKey of N-methyl-1-(2-methylphenyl)spiro[1H-2-benzofuran-3,4'-cyclohexane]-1'-amine?
The InChIKey is NOAROCLHEBVYJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO/c1-15-7-3-4-8-17(15)20-18-9-5-6-10-19(18)21(23-20)13-11-16(22-2)12-14-21/h3-10,16,20,22H,11-14H2,1-2H3.
What are the key properties of N-methyl-1-(2-methylphenyl)spiro[1H-2-benzofuran-3,4'-cyclohexane]-1'-amine?
N-methyl-1-(2-methylphenyl)spiro[1H-2-benzofuran-3,4'-cyclohexane]-1'-amine has a molecular weight of 307.44 g/mol, XLogP of 4.47, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(2-methylphenyl)spiro[1H-2-benzofuran-3,4'-cyclohexane]-1'-amine is sourced from PubChem (CID 12717484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).