N-methoxy-1-phenylspiro[1H-2-benzofuran-3,4'-cyclohexene]-1'-amine

C20H21NO2 — CID 56631140

IUPACN-methoxy-1-phenylspiro[1H-2-benzofuran-3,4'-cyclohexene]-1'-amine
SMILESCONC1=CCC2(CC1)OC(c1ccccc1)c1ccccc12
InChIInChI=1S/C20H21NO2/c1-22-21-16-11-13-20(14-12-16)18-10-6-5-9-17(18)19(23-20)15-7-3-2-4-8-15/h2-11,19,21H,12-14H2,1H3
InChIKeyOZBFJEBHIHJPOO-UHFFFAOYSA-N
MW307.39 g/mol
LogP4.22
Rot. Bonds3

About N-methoxy-1-phenylspiro[1H-2-benzofuran-3,4'-cyclohexene]-1'-amine

N-methoxy-1-phenylspiro[1H-2-benzofuran-3,4'-cyclohexene]-1'-amine (PubChem CID 56631140) has the molecular formula C20H21NO2 and a molecular weight of 307.39 g/mol. Its IUPAC name is N-methoxy-1-phenylspiro[1H-2-benzofuran-3,4'-cyclohexene]-1'-amine.

Molecular Properties

Compound NameN-methoxy-1-phenylspiro[1H-2-benzofuran-3,4'-cyclohexene]-1'-amine
PubChem CID56631140
Molecular FormulaC20H21NO2
Molecular Weight307.39 g/mol
Exact Mass307.16
IUPAC NameN-methoxy-1-phenylspiro[1H-2-benzofuran-3,4'-cyclohexene]-1'-amine
SMILESCONC1=CCC2(CC1)OC(c1ccccc1)c1ccccc12
InChIInChI=1S/C20H21NO2/c1-22-21-16-11-13-20(14-12-16)18-10-6-5-9-17(18)19(23-20)15-7-3-2-4-8-15/h2-11,19,21H,12-14H2,1H3
InChIKeyOZBFJEBHIHJPOO-UHFFFAOYSA-N
XLogP4.22
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-methyl-1-phenylspiro[1H-2-benzofuran-3,4'-cyclohexane]-1'-amine
CID 12717482
N-methyl-1-(2-methylphenyl)spiro[1H-2-benzofuran-3,4'-cyclohexane]-1'-amine
CID 12717484
N-methyl-3-(1-phenyl-3H-2-benzofuran-1-yl)propan-1-amine
CID 114388
3-[1-(4-fluorophenyl)-3H-2-benzofuran-1-yl]propan-1-amine
CID 68910300
N-methyl-3-(3-methyl-1-phenyl-3H-2-benzofuran-1-yl)propan-1-amine
CID 108484
3-(3,3-Dimethyl-1-phenyl-2-benzofuran-1-yl)propan-1-amine
CID 207092
1-phenylspiro[1H-2-benzofuran-3,4'-cyclohexane]-1'-amine
CID 13017861
1-phenylspiro[1H-2-benzofuran-3,4'-cyclohexane]-1'-amine;hydrochloride
CID 13017862
1-cyclohexylspiro[1H-2-benzofuran-3,4'-cyclohexane]-1'-amine
CID 13017864
N-methoxy-1-phenylspiro[1H-2-benzofuran-3,4'-cyclohexane]-1'-imine
CID 13017872
4-methoxyimino-3'-phenylspiro[cyclohexane-1,1'(3'H)-isobenzofuran]hydrochloride
CID 20562140
(1R)-N-methyl-1-phenylspiro[1H-2-benzofuran-3,4'-cyclohexane]-1'-amine
CID 22815698

Frequently Asked Questions

What is the IUPAC name of N-methoxy-1-phenylspiro[1H-2-benzofuran-3,4'-cyclohexene]-1'-amine?
The IUPAC name of N-methoxy-1-phenylspiro[1H-2-benzofuran-3,4'-cyclohexene]-1'-amine (CID 56631140) is N-methoxy-1-phenylspiro[1H-2-benzofuran-3,4'-cyclohexene]-1'-amine.
What is the SMILES notation for N-methoxy-1-phenylspiro[1H-2-benzofuran-3,4'-cyclohexene]-1'-amine?
The canonical SMILES for N-methoxy-1-phenylspiro[1H-2-benzofuran-3,4'-cyclohexene]-1'-amine is CONC1=CCC2(CC1)OC(c1ccccc1)c1ccccc12.
What is the InChIKey of N-methoxy-1-phenylspiro[1H-2-benzofuran-3,4'-cyclohexene]-1'-amine?
The InChIKey is OZBFJEBHIHJPOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO2/c1-22-21-16-11-13-20(14-12-16)18-10-6-5-9-17(18)19(23-20)15-7-3-2-4-8-15/h2-11,19,21H,12-14H2,1H3.
What are the key properties of N-methoxy-1-phenylspiro[1H-2-benzofuran-3,4'-cyclohexene]-1'-amine?
N-methoxy-1-phenylspiro[1H-2-benzofuran-3,4'-cyclohexene]-1'-amine has a molecular weight of 307.39 g/mol, XLogP of 4.22, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methoxy-1-phenylspiro[1H-2-benzofuran-3,4'-cyclohexene]-1'-amine is sourced from PubChem (CID 56631140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).