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

C20H23NO — CID 12717482

IUPACN-methyl-1-phenylspiro[1H-2-benzofuran-3,4'-cyclohexane]-1'-amine
SMILESCNC1CCC2(CC1)OC(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
InChIKeyMNOALQPMPXJQJD-UHFFFAOYSA-N
MW293.41 g/mol
LogP4.16
Rot. Bonds2

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

N-methyl-1-phenylspiro[1H-2-benzofuran-3,4'-cyclohexane]-1'-amine (PubChem CID 12717482) has the molecular formula C20H23NO and a molecular weight of 293.41 g/mol. Its IUPAC name is N-methyl-1-phenylspiro[1H-2-benzofuran-3,4'-cyclohexane]-1'-amine.

Molecular Properties

Compound NameN-methyl-1-phenylspiro[1H-2-benzofuran-3,4'-cyclohexane]-1'-amine
PubChem CID12717482
Molecular FormulaC20H23NO
Molecular Weight293.41 g/mol
Exact Mass293.18
IUPAC NameN-methyl-1-phenylspiro[1H-2-benzofuran-3,4'-cyclohexane]-1'-amine
SMILESCNC1CCC2(CC1)OC(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
InChIKeyMNOALQPMPXJQJD-UHFFFAOYSA-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

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-phenylspiro[1H-2-benzofuran-3,4'-cyclohexane]-1'-amine?
The IUPAC name of N-methyl-1-phenylspiro[1H-2-benzofuran-3,4'-cyclohexane]-1'-amine (CID 12717482) is N-methyl-1-phenylspiro[1H-2-benzofuran-3,4'-cyclohexane]-1'-amine.
What is the SMILES notation for N-methyl-1-phenylspiro[1H-2-benzofuran-3,4'-cyclohexane]-1'-amine?
The canonical SMILES for N-methyl-1-phenylspiro[1H-2-benzofuran-3,4'-cyclohexane]-1'-amine is CNC1CCC2(CC1)OC(c1ccccc1)c1ccccc12.
What is the InChIKey of N-methyl-1-phenylspiro[1H-2-benzofuran-3,4'-cyclohexane]-1'-amine?
The InChIKey is MNOALQPMPXJQJD-UHFFFAOYSA-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.
What are the key properties of N-methyl-1-phenylspiro[1H-2-benzofuran-3,4'-cyclohexane]-1'-amine?
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 N-methyl-1-phenylspiro[1H-2-benzofuran-3,4'-cyclohexane]-1'-amine is sourced from PubChem (CID 12717482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).