1-cyclohexylspiro[1H-2-benzofuran-3,4'-cyclohexane]-1'-amine

C19H27NO — CID 13017864

IUPAC1-cyclohexylspiro[1H-2-benzofuran-3,4'-cyclohexane]-1'-amine
SMILESNC1CCC2(CC1)OC(C1CCCCC1)c1ccccc12
InChIInChI=1S/C19H27NO/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/h4-5,8-9,14-15,18H,1-3,6-7,10-13,20H2
InChIKeyXKEGFXQQGJHDNN-UHFFFAOYSA-N
MW285.43 g/mol
LogP4.43
Rot. Bonds1

About 1-cyclohexylspiro[1H-2-benzofuran-3,4'-cyclohexane]-1'-amine

1-cyclohexylspiro[1H-2-benzofuran-3,4'-cyclohexane]-1'-amine (PubChem CID 13017864) has the molecular formula C19H27NO and a molecular weight of 285.43 g/mol. Its IUPAC name is 1-cyclohexylspiro[1H-2-benzofuran-3,4'-cyclohexane]-1'-amine.

Molecular Properties

Compound Name1-cyclohexylspiro[1H-2-benzofuran-3,4'-cyclohexane]-1'-amine
PubChem CID13017864
Molecular FormulaC19H27NO
Molecular Weight285.43 g/mol
Exact Mass285.21
IUPAC Name1-cyclohexylspiro[1H-2-benzofuran-3,4'-cyclohexane]-1'-amine
SMILESNC1CCC2(CC1)OC(C1CCCCC1)c1ccccc12
InChIInChI=1S/C19H27NO/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/h4-5,8-9,14-15,18H,1-3,6-7,10-13,20H2
InChIKeyXKEGFXQQGJHDNN-UHFFFAOYSA-N
XLogP4.43
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.43
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Talopram
CID 23573
Talopram Hydrochloride
CID 71176
HP 505
CID 191510
N-(cyclohexylmethyl)-1-methoxyspiro[1H-2-benzofuran-3,4'-cyclohexane]-1'-amine
CID 155515524
N-(cyclohexylmethyl)spiro[3,4-dihydroisochromene-1,4'-cyclohexane]-1'-amine
CID 155535978
N-(cyclohexylmethyl)spiro[cyclohexane-4,1'-isochromene]-1-amine
CID 155558857
3-[1-(4-fluorophenyl)-3H-2-benzofuran-1-yl]-N-methylpropan-1-amine
CID 12370991
N,N-dimethyl-1-phenylspiro[1H-2-benzofuran-3,4'-cyclohexane]-1'-amine
CID 12717458
N,N-dimethyl-1-(2-methylphenyl)spiro[1H-2-benzofuran-3,4'-cyclohexane]-1'-amine
CID 12717459
1-(4-fluorophenyl)-N,N-dimethylspiro[1H-2-benzofuran-3,4'-cyclohexane]-1'-amine
CID 12717460
N,N-dimethyl-1-(4-methylphenyl)spiro[1H-2-benzofuran-3,4'-cyclohexane]-1'-amine
CID 12717464
N,N,1-trimethylspiro[1H-2-benzofuran-3,4'-cyclohexane]-1'-amine
CID 12717467

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexylspiro[1H-2-benzofuran-3,4'-cyclohexane]-1'-amine?
The IUPAC name of 1-cyclohexylspiro[1H-2-benzofuran-3,4'-cyclohexane]-1'-amine (CID 13017864) is 1-cyclohexylspiro[1H-2-benzofuran-3,4'-cyclohexane]-1'-amine.
What is the SMILES notation for 1-cyclohexylspiro[1H-2-benzofuran-3,4'-cyclohexane]-1'-amine?
The canonical SMILES for 1-cyclohexylspiro[1H-2-benzofuran-3,4'-cyclohexane]-1'-amine is NC1CCC2(CC1)OC(C1CCCCC1)c1ccccc12.
What is the InChIKey of 1-cyclohexylspiro[1H-2-benzofuran-3,4'-cyclohexane]-1'-amine?
The InChIKey is XKEGFXQQGJHDNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27NO/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/h4-5,8-9,14-15,18H,1-3,6-7,10-13,20H2.
What are the key properties of 1-cyclohexylspiro[1H-2-benzofuran-3,4'-cyclohexane]-1'-amine?
1-cyclohexylspiro[1H-2-benzofuran-3,4'-cyclohexane]-1'-amine has a molecular weight of 285.43 g/mol, XLogP of 4.43, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexylspiro[1H-2-benzofuran-3,4'-cyclohexane]-1'-amine is sourced from PubChem (CID 13017864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).