[1-(2,2-dimethyl-3H-1-benzofuran-6-yl)cyclohexyl]methanamine

C17H25NO — CID 117402987

IUPAC[1-(2,2-dimethyl-3H-1-benzofuran-6-yl)cyclohexyl]methanamine
SMILESCC1(C)Cc2ccc(C3(CN)CCCCC3)cc2O1
InChIInChI=1S/C17H25NO/c1-16(2)11-13-6-7-14(10-15(13)19-16)17(12-18)8-4-3-5-9-17/h6-7,10H,3-5,8-9,11-12,18H2,1-2H3
InChIKeyLVMWNFKSOKGUFZ-UHFFFAOYSA-N
MW259.39 g/mol
LogP3.56
Rot. Bonds2

About [1-(2,2-dimethyl-3H-1-benzofuran-6-yl)cyclohexyl]methanamine

[1-(2,2-dimethyl-3H-1-benzofuran-6-yl)cyclohexyl]methanamine (PubChem CID 117402987) has the molecular formula C17H25NO and a molecular weight of 259.39 g/mol. Its IUPAC name is [1-(2,2-dimethyl-3H-1-benzofuran-6-yl)cyclohexyl]methanamine.

Molecular Properties

Compound Name[1-(2,2-dimethyl-3H-1-benzofuran-6-yl)cyclohexyl]methanamine
PubChem CID117402987
Molecular FormulaC17H25NO
Molecular Weight259.39 g/mol
Exact Mass259.19
IUPAC Name[1-(2,2-dimethyl-3H-1-benzofuran-6-yl)cyclohexyl]methanamine
SMILESCC1(C)Cc2ccc(C3(CN)CCCCC3)cc2O1
InChIInChI=1S/C17H25NO/c1-16(2)11-13-6-7-14(10-15(13)19-16)17(12-18)8-4-3-5-9-17/h6-7,10H,3-5,8-9,11-12,18H2,1-2H3
InChIKeyLVMWNFKSOKGUFZ-UHFFFAOYSA-N
XLogP3.56
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.39
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[1-(2,2-dimethyl-1,3-benzodioxol-5-yl)cyclopropyl]methanamine
CID 117312500
(2,2-dimethyl-3H-1-benzofuran-6-yl)methanamine
CID 82599528
[1-(3-methyl-2,3-dihydro-1H-inden-5-yl)cyclohexyl]methanamine
CID 117360942
[1-(3,4-dimethylphenyl)cyclohexyl]methanamine
CID 62899225
[4-(2,2-dimethyl-3H-1-benzofuran-6-yl)phenyl]methanamine
CID 151427934
[1-(1-methyl-2,3-dihydroindol-6-yl)cyclohexyl]methanamine
CID 117363408
[1-(3-chloro-4-methylphenyl)cyclohexyl]methanamine
CID 83824553
[1-(5-chloro-2,2-dimethyl-3H-1-benzofuran-7-yl)cyclobutyl]methanamine
CID 117418812
5-[1-(aminomethyl)cyclohexyl]-1,3-dihydroindol-2-one
CID 82497597
6-chloro-2,2-dimethyl-3H-1-benzofuran
CID 13333889
1-(2,2-dimethyl-3H-1-benzofuran-6-yl)propan-2-amine
CID 117294068
1-(2,2-dimethyl-3,4-dihydrochromen-7-yl)cyclobutan-1-amine
CID 117334916

Frequently Asked Questions

What is the IUPAC name of [1-(2,2-dimethyl-3H-1-benzofuran-6-yl)cyclohexyl]methanamine?
The IUPAC name of [1-(2,2-dimethyl-3H-1-benzofuran-6-yl)cyclohexyl]methanamine (CID 117402987) is [1-(2,2-dimethyl-3H-1-benzofuran-6-yl)cyclohexyl]methanamine.
What is the SMILES notation for [1-(2,2-dimethyl-3H-1-benzofuran-6-yl)cyclohexyl]methanamine?
The canonical SMILES for [1-(2,2-dimethyl-3H-1-benzofuran-6-yl)cyclohexyl]methanamine is CC1(C)Cc2ccc(C3(CN)CCCCC3)cc2O1.
What is the InChIKey of [1-(2,2-dimethyl-3H-1-benzofuran-6-yl)cyclohexyl]methanamine?
The InChIKey is LVMWNFKSOKGUFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO/c1-16(2)11-13-6-7-14(10-15(13)19-16)17(12-18)8-4-3-5-9-17/h6-7,10H,3-5,8-9,11-12,18H2,1-2H3.
What are the key properties of [1-(2,2-dimethyl-3H-1-benzofuran-6-yl)cyclohexyl]methanamine?
[1-(2,2-dimethyl-3H-1-benzofuran-6-yl)cyclohexyl]methanamine has a molecular weight of 259.39 g/mol, XLogP of 3.56, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2,2-dimethyl-3H-1-benzofuran-6-yl)cyclohexyl]methanamine is sourced from PubChem (CID 117402987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).