N-methoxy-1-phenylspiro[1H-2-benzofuran-3,4'-cyclohexane]-1'-imine;hydrochloride

C20H22ClNO2 — CID 20562140

IUPACN-methoxy-1-phenylspiro[1H-2-benzofuran-3,4'-cyclohexane]-1'-imine;hydrochloride
SMILESCON=C1CCC2(CC1)OC(c1ccccc1)c1ccccc12.Cl
InChIInChI=1S/C20H21NO2.ClH/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;/h2-10,19H,11-14H2,1H3;1H/b21-16-;
InChIKeyMLMBLSKECTZLEL-PLMZOXRSSA-N
MW343.85 g/mol
LogP5.00
Rot. Bonds2

About N-methoxy-1-phenylspiro[1H-2-benzofuran-3,4'-cyclohexane]-1'-imine;hydrochloride

N-methoxy-1-phenylspiro[1H-2-benzofuran-3,4'-cyclohexane]-1'-imine;hydrochloride (PubChem CID 20562140) has the molecular formula C20H22ClNO2 and a molecular weight of 343.85 g/mol. Its IUPAC name is N-methoxy-1-phenylspiro[1H-2-benzofuran-3,4'-cyclohexane]-1'-imine;hydrochloride.

Molecular Properties

Compound NameN-methoxy-1-phenylspiro[1H-2-benzofuran-3,4'-cyclohexane]-1'-imine;hydrochloride
PubChem CID20562140
Molecular FormulaC20H22ClNO2
Molecular Weight343.85 g/mol
Exact Mass343.13
IUPAC NameN-methoxy-1-phenylspiro[1H-2-benzofuran-3,4'-cyclohexane]-1'-imine;hydrochloride
SMILESCON=C1CCC2(CC1)OC(c1ccccc1)c1ccccc12.Cl
InChIInChI=1S/C20H21NO2.ClH/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;/h2-10,19H,11-14H2,1H3;1H/b21-16-;
InChIKeyMLMBLSKECTZLEL-PLMZOXRSSA-N
XLogP5.00
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.85
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-methoxy-1-phenylspiro[1H-2-benzofuran-3,4'-cyclohexane]-1'-imine;hydrochloride?
The IUPAC name of N-methoxy-1-phenylspiro[1H-2-benzofuran-3,4'-cyclohexane]-1'-imine;hydrochloride (CID 20562140) is N-methoxy-1-phenylspiro[1H-2-benzofuran-3,4'-cyclohexane]-1'-imine;hydrochloride.
What is the SMILES notation for N-methoxy-1-phenylspiro[1H-2-benzofuran-3,4'-cyclohexane]-1'-imine;hydrochloride?
The canonical SMILES for N-methoxy-1-phenylspiro[1H-2-benzofuran-3,4'-cyclohexane]-1'-imine;hydrochloride is CON=C1CCC2(CC1)OC(c1ccccc1)c1ccccc12.Cl.
What is the InChIKey of N-methoxy-1-phenylspiro[1H-2-benzofuran-3,4'-cyclohexane]-1'-imine;hydrochloride?
The InChIKey is MLMBLSKECTZLEL-PLMZOXRSSA-N. The full InChI is InChI=1S/C20H21NO2.ClH/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;/h2-10,19H,11-14H2,1H3;1H/b21-16-;.
What are the key properties of N-methoxy-1-phenylspiro[1H-2-benzofuran-3,4'-cyclohexane]-1'-imine;hydrochloride?
N-methoxy-1-phenylspiro[1H-2-benzofuran-3,4'-cyclohexane]-1'-imine;hydrochloride has a molecular weight of 343.85 g/mol, XLogP of 5.00, 2 rotatable bonds, 0 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'-cyclohexane]-1'-imine;hydrochloride is sourced from PubChem (CID 20562140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).