1-phenylspiro[1H-2-benzofuran-3,4'-cyclohexane]-1'-amine;hydrochloride

C19H22ClNO — CID 13017862

IUPAC1-phenylspiro[1H-2-benzofuran-3,4'-cyclohexane]-1'-amine;hydrochloride
SMILESCl.NC1CCC2(CC1)OC(c1ccccc1)c1ccccc12
InChIInChI=1S/C19H21NO.ClH/c20-15-10-12-19(13-11-15)17-9-5-4-8-16(17)18(21-19)14-6-2-1-3-7-14;/h1-9,15,18H,10-13,20H2;1H
InChIKeyAXFHZIOQFKZANX-UHFFFAOYSA-N
MW315.84 g/mol
LogP4.32
Rot. Bonds1

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

1-phenylspiro[1H-2-benzofuran-3,4'-cyclohexane]-1'-amine;hydrochloride (PubChem CID 13017862) has the molecular formula C19H22ClNO and a molecular weight of 315.84 g/mol. Its IUPAC name is 1-phenylspiro[1H-2-benzofuran-3,4'-cyclohexane]-1'-amine;hydrochloride.

Molecular Properties

Compound Name1-phenylspiro[1H-2-benzofuran-3,4'-cyclohexane]-1'-amine;hydrochloride
PubChem CID13017862
Molecular FormulaC19H22ClNO
Molecular Weight315.84 g/mol
Exact Mass315.14
IUPAC Name1-phenylspiro[1H-2-benzofuran-3,4'-cyclohexane]-1'-amine;hydrochloride
SMILESCl.NC1CCC2(CC1)OC(c1ccccc1)c1ccccc12
InChIInChI=1S/C19H21NO.ClH/c20-15-10-12-19(13-11-15)17-9-5-4-8-16(17)18(21-19)14-6-2-1-3-7-14;/h1-9,15,18H,10-13,20H2;1H
InChIKeyAXFHZIOQFKZANX-UHFFFAOYSA-N
XLogP4.32
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.84
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-phenylspiro[1H-2-benzofuran-3,4'-cyclohexane]-1'-amine;hydrochloride?
The IUPAC name of 1-phenylspiro[1H-2-benzofuran-3,4'-cyclohexane]-1'-amine;hydrochloride (CID 13017862) is 1-phenylspiro[1H-2-benzofuran-3,4'-cyclohexane]-1'-amine;hydrochloride.
What is the SMILES notation for 1-phenylspiro[1H-2-benzofuran-3,4'-cyclohexane]-1'-amine;hydrochloride?
The canonical SMILES for 1-phenylspiro[1H-2-benzofuran-3,4'-cyclohexane]-1'-amine;hydrochloride is Cl.NC1CCC2(CC1)OC(c1ccccc1)c1ccccc12.
What is the InChIKey of 1-phenylspiro[1H-2-benzofuran-3,4'-cyclohexane]-1'-amine;hydrochloride?
The InChIKey is AXFHZIOQFKZANX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO.ClH/c20-15-10-12-19(13-11-15)17-9-5-4-8-16(17)18(21-19)14-6-2-1-3-7-14;/h1-9,15,18H,10-13,20H2;1H.
What are the key properties of 1-phenylspiro[1H-2-benzofuran-3,4'-cyclohexane]-1'-amine;hydrochloride?
1-phenylspiro[1H-2-benzofuran-3,4'-cyclohexane]-1'-amine;hydrochloride has a molecular weight of 315.84 g/mol, XLogP of 4.32, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenylspiro[1H-2-benzofuran-3,4'-cyclohexane]-1'-amine;hydrochloride is sourced from PubChem (CID 13017862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).