N-methyl-2-(5-methyl-1-benzofuran-2-yl)cycloheptan-1-amine

C17H23NO — CID 114732936

IUPACN-methyl-2-(5-methyl-1-benzofuran-2-yl)cycloheptan-1-amine
SMILESCNC1CCCCCC1c1cc2cc(C)ccc2o1
InChIInChI=1S/C17H23NO/c1-12-8-9-16-13(10-12)11-17(19-16)14-6-4-3-5-7-15(14)18-2/h8-11,14-15,18H,3-7H2,1-2H3
InChIKeyOGEMRBFMYBWUKT-UHFFFAOYSA-N
MW257.38 g/mol
LogP4.38
Rot. Bonds2

About N-methyl-2-(5-methyl-1-benzofuran-2-yl)cycloheptan-1-amine

N-methyl-2-(5-methyl-1-benzofuran-2-yl)cycloheptan-1-amine (PubChem CID 114732936) has the molecular formula C17H23NO and a molecular weight of 257.38 g/mol. Its IUPAC name is N-methyl-2-(5-methyl-1-benzofuran-2-yl)cycloheptan-1-amine.

Molecular Properties

Compound NameN-methyl-2-(5-methyl-1-benzofuran-2-yl)cycloheptan-1-amine
PubChem CID114732936
Molecular FormulaC17H23NO
Molecular Weight257.38 g/mol
Exact Mass257.18
IUPAC NameN-methyl-2-(5-methyl-1-benzofuran-2-yl)cycloheptan-1-amine
SMILESCNC1CCCCCC1c1cc2cc(C)ccc2o1
InChIInChI=1S/C17H23NO/c1-12-8-9-16-13(10-12)11-17(19-16)14-6-4-3-5-7-15(14)18-2/h8-11,14-15,18H,3-7H2,1-2H3
InChIKeyOGEMRBFMYBWUKT-UHFFFAOYSA-N
XLogP4.38
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(5-chloro-1-benzofuran-2-yl)-N-methylcyclopentan-1-amine
CID 114732915
N-methyl-1-[2-(5-methyl-1-benzofuran-2-yl)cyclopentyl]methanamine
CID 114735733
N-ethyl-2-(5-fluoro-1-benzofuran-2-yl)cycloheptan-1-amine
CID 114732940
2-methyl-3-(5-methyl-1-benzofuran-2-yl)cyclopentan-1-ol
CID 114733767
2-(1-benzofuran-2-yl)-N-propylcycloheptan-1-amine
CID 114732944
N,5-dimethyl-1-benzofuran-2-amine
CID 123740126
cis-(1S,2S)-N-methyl-2-(4-methylphenyl)cyclopentan-1-amine
CID 94869351
1-cyclohexyl-1-(5-methyl-1-benzofuran-2-yl)ethanol
CID 114795009
2-cyclohexylsulfanyl-N-methyl-1-(5-methyl-1-benzofuran-2-yl)ethanamine
CID 114729027
N-cyclopentyl-5-methyl-1-benzofuran-2-carboxamide
CID 17015654
N-[7-bicyclo[4.1.0]heptanyl-(5-methyl-1-benzofuran-2-yl)methyl]ethanamine
CID 105045128
N-[(5-methyl-1-benzofuran-2-yl)methyl]cyclohexanecarboxamide
CID 166158839

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(5-methyl-1-benzofuran-2-yl)cycloheptan-1-amine?
The IUPAC name of N-methyl-2-(5-methyl-1-benzofuran-2-yl)cycloheptan-1-amine (CID 114732936) is N-methyl-2-(5-methyl-1-benzofuran-2-yl)cycloheptan-1-amine.
What is the SMILES notation for N-methyl-2-(5-methyl-1-benzofuran-2-yl)cycloheptan-1-amine?
The canonical SMILES for N-methyl-2-(5-methyl-1-benzofuran-2-yl)cycloheptan-1-amine is CNC1CCCCCC1c1cc2cc(C)ccc2o1.
What is the InChIKey of N-methyl-2-(5-methyl-1-benzofuran-2-yl)cycloheptan-1-amine?
The InChIKey is OGEMRBFMYBWUKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO/c1-12-8-9-16-13(10-12)11-17(19-16)14-6-4-3-5-7-15(14)18-2/h8-11,14-15,18H,3-7H2,1-2H3.
What are the key properties of N-methyl-2-(5-methyl-1-benzofuran-2-yl)cycloheptan-1-amine?
N-methyl-2-(5-methyl-1-benzofuran-2-yl)cycloheptan-1-amine has a molecular weight of 257.38 g/mol, XLogP of 4.38, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(5-methyl-1-benzofuran-2-yl)cycloheptan-1-amine is sourced from PubChem (CID 114732936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).