N-ethyl-2-(7-methyl-1-benzofuran-2-yl)cyclohexan-1-amine

C17H23NO — CID 114732902

IUPACN-ethyl-2-(7-methyl-1-benzofuran-2-yl)cyclohexan-1-amine
SMILESCCNC1CCCCC1c1cc2cccc(C)c2o1
InChIInChI=1S/C17H23NO/c1-3-18-15-10-5-4-9-14(15)16-11-13-8-6-7-12(2)17(13)19-16/h6-8,11,14-15,18H,3-5,9-10H2,1-2H3
InChIKeyWGIZCRARWUMNAR-UHFFFAOYSA-N
MW257.38 g/mol
LogP4.38
Rot. Bonds3

About N-ethyl-2-(7-methyl-1-benzofuran-2-yl)cyclohexan-1-amine

N-ethyl-2-(7-methyl-1-benzofuran-2-yl)cyclohexan-1-amine (PubChem CID 114732902) has the molecular formula C17H23NO and a molecular weight of 257.38 g/mol. Its IUPAC name is N-ethyl-2-(7-methyl-1-benzofuran-2-yl)cyclohexan-1-amine.

Molecular Properties

Compound NameN-ethyl-2-(7-methyl-1-benzofuran-2-yl)cyclohexan-1-amine
PubChem CID114732902
Molecular FormulaC17H23NO
Molecular Weight257.38 g/mol
Exact Mass257.18
IUPAC NameN-ethyl-2-(7-methyl-1-benzofuran-2-yl)cyclohexan-1-amine
SMILESCCNC1CCCCC1c1cc2cccc(C)c2o1
InChIInChI=1S/C17H23NO/c1-3-18-15-10-5-4-9-14(15)16-11-13-8-6-7-12(2)17(13)19-16/h6-8,11,14-15,18H,3-5,9-10H2,1-2H3
InChIKeyWGIZCRARWUMNAR-UHFFFAOYSA-N
XLogP4.38
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
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-(7-chloro-1-benzofuran-2-yl)-N-ethylcycloheptan-1-amine
CID 114732942
N-[[2-(7-methyl-1-benzofuran-2-yl)cyclopentyl]methyl]ethanamine
CID 114735736
2-(7-chloro-1-benzofuran-2-yl)-N-propylcyclohexan-1-amine
CID 114732912
N-ethyl-2-(5-fluoro-1-benzofuran-2-yl)cycloheptan-1-amine
CID 114732940
2-(1-benzofuran-2-yl)-N-propylcycloheptan-1-amine
CID 114732944
N-ethyl-2-(3-methylphenyl)cycloheptan-1-amine
CID 62604421
N-ethyl-2-(2,4,5-trimethylphenyl)cyclohexan-1-amine
CID 64990219
2-cyclopropyl-N-ethyl-1-(7-methyl-1-benzofuran-2-yl)propan-1-amine
CID 105045508
N-ethyl-2-[3-(2-methylpropyl)phenyl]cycloheptan-1-amine
CID 116545575
N-methyl-1-(7-methyl-1-benzofuran-2-yl)-2-(oxan-2-yl)ethanamine
CID 114730852
2-cycloheptyl-N-methyl-1-(7-methyl-1-benzofuran-2-yl)ethanamine
CID 105045483
1-cycloheptyl-N-methyl-1-(7-methyl-1-benzofuran-2-yl)methanamine
CID 114729233

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(7-methyl-1-benzofuran-2-yl)cyclohexan-1-amine?
The IUPAC name of N-ethyl-2-(7-methyl-1-benzofuran-2-yl)cyclohexan-1-amine (CID 114732902) is N-ethyl-2-(7-methyl-1-benzofuran-2-yl)cyclohexan-1-amine.
What is the SMILES notation for N-ethyl-2-(7-methyl-1-benzofuran-2-yl)cyclohexan-1-amine?
The canonical SMILES for N-ethyl-2-(7-methyl-1-benzofuran-2-yl)cyclohexan-1-amine is CCNC1CCCCC1c1cc2cccc(C)c2o1.
What is the InChIKey of N-ethyl-2-(7-methyl-1-benzofuran-2-yl)cyclohexan-1-amine?
The InChIKey is WGIZCRARWUMNAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO/c1-3-18-15-10-5-4-9-14(15)16-11-13-8-6-7-12(2)17(13)19-16/h6-8,11,14-15,18H,3-5,9-10H2,1-2H3.
What are the key properties of N-ethyl-2-(7-methyl-1-benzofuran-2-yl)cyclohexan-1-amine?
N-ethyl-2-(7-methyl-1-benzofuran-2-yl)cyclohexan-1-amine has a molecular weight of 257.38 g/mol, XLogP of 4.38, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(7-methyl-1-benzofuran-2-yl)cyclohexan-1-amine is sourced from PubChem (CID 114732902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).