N-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]cyclohexanamine

C17H25NO — CID 64509473

IUPACN-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]cyclohexanamine
SMILESCC1(C)Cc2cccc(CNC3CCCCC3)c2O1
InChIInChI=1S/C17H25NO/c1-17(2)11-13-7-6-8-14(16(13)19-17)12-18-15-9-4-3-5-10-15/h6-8,15,18H,3-5,9-12H2,1-2H3
InChIKeyQNCIPNUTICDQEB-UHFFFAOYSA-N
MW259.39 g/mol
LogP3.82
Rot. Bonds3

About N-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]cyclohexanamine

N-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]cyclohexanamine (PubChem CID 64509473) has the molecular formula C17H25NO and a molecular weight of 259.39 g/mol. Its IUPAC name is N-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]cyclohexanamine.

Molecular Properties

Compound NameN-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]cyclohexanamine
PubChem CID64509473
Molecular FormulaC17H25NO
Molecular Weight259.39 g/mol
Exact Mass259.19
IUPAC NameN-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]cyclohexanamine
SMILESCC1(C)Cc2cccc(CNC3CCCCC3)c2O1
InChIInChI=1S/C17H25NO/c1-17(2)11-13-7-6-8-14(16(13)19-17)12-18-15-9-4-3-5-10-15/h6-8,15,18H,3-5,9-12H2,1-2H3
InChIKeyQNCIPNUTICDQEB-UHFFFAOYSA-N
XLogP3.82
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.39
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]thian-4-amine
CID 115641639
N-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]-3-methylcyclohexan-1-amine
CID 64506591
1-cyclohexyl-N-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]ethanamine
CID 64508824
1-(2,2-difluoroethyl)-N-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]piperidin-4-amine
CID 126769654
N-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]-1-propylsulfonylpiperidin-4-amine
CID 126777889
2-cyclopentyl-N-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]ethanamine
CID 64507929
1,1-dicyclopropyl-N-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]methanamine
CID 64508357
N-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]-7-oxabicyclo[2.2.1]heptan-2-amine
CID 80611655
[4-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methylamino]piperidin-1-yl]-(2-fluorophenyl)methanone
CID 126793331
N-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]-1-(thian-2-yl)methanamine
CID 80600345
N-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]-1-(2-methylcyclopentyl)methanamine
CID 107417645
(2,2-dimethyl-3H-1-benzofuran-7-yl)methanamine
CID 18525713

Frequently Asked Questions

What is the IUPAC name of N-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]cyclohexanamine?
The IUPAC name of N-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]cyclohexanamine (CID 64509473) is N-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]cyclohexanamine.
What is the SMILES notation for N-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]cyclohexanamine?
The canonical SMILES for N-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]cyclohexanamine is CC1(C)Cc2cccc(CNC3CCCCC3)c2O1.
What is the InChIKey of N-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]cyclohexanamine?
The InChIKey is QNCIPNUTICDQEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO/c1-17(2)11-13-7-6-8-14(16(13)19-17)12-18-15-9-4-3-5-10-15/h6-8,15,18H,3-5,9-12H2,1-2H3.
What are the key properties of N-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]cyclohexanamine?
N-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]cyclohexanamine has a molecular weight of 259.39 g/mol, XLogP of 3.82, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]cyclohexanamine is sourced from PubChem (CID 64509473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).