1-(6,7-dimethyl-1-benzofuran-2-yl)-N-ethylpropan-1-amine

C15H21NO — CID 65440199

IUPAC1-(6,7-dimethyl-1-benzofuran-2-yl)-N-ethylpropan-1-amine
SMILESCCNC(CC)c1cc2ccc(C)c(C)c2o1
InChIInChI=1S/C15H21NO/c1-5-13(16-6-2)14-9-12-8-7-10(3)11(4)15(12)17-14/h7-9,13,16H,5-6H2,1-4H3
InChIKeyDKSHLWZSFLLOJR-UHFFFAOYSA-N
MW231.34 g/mol
LogP4.11
Rot. Bonds4

About 1-(6,7-dimethyl-1-benzofuran-2-yl)-N-ethylpropan-1-amine

1-(6,7-dimethyl-1-benzofuran-2-yl)-N-ethylpropan-1-amine (PubChem CID 65440199) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is 1-(6,7-dimethyl-1-benzofuran-2-yl)-N-ethylpropan-1-amine.

Molecular Properties

Compound Name1-(6,7-dimethyl-1-benzofuran-2-yl)-N-ethylpropan-1-amine
PubChem CID65440199
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC Name1-(6,7-dimethyl-1-benzofuran-2-yl)-N-ethylpropan-1-amine
SMILESCCNC(CC)c1cc2ccc(C)c(C)c2o1
InChIInChI=1S/C15H21NO/c1-5-13(16-6-2)14-9-12-8-7-10(3)11(4)15(12)17-14/h7-9,13,16H,5-6H2,1-4H3
InChIKeyDKSHLWZSFLLOJR-UHFFFAOYSA-N
XLogP4.11
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(6,7-dimethyl-1-benzofuran-2-yl)-2-methyl-N-propylpropan-1-amine
CID 65440774
1-(6,7-dimethyl-1-benzofuran-2-yl)-N,2-dimethylpropan-1-amine
CID 65440389
N-ethyl-3-methyl-1-(7-methyl-1-benzofuran-2-yl)pentan-1-amine
CID 105045521
N-ethyl-1-(7-methyl-1-benzofuran-2-yl)butan-1-amine
CID 65441133
1-(5,7-dichloro-1-benzofuran-2-yl)-N-ethylpropan-1-amine
CID 65439053
N-ethyl-N',N'-dimethyl-1-(7-methyl-1-benzofuran-2-yl)ethane-1,2-diamine
CID 114729711
1-(6-chloro-7-fluoro-1-benzofuran-2-yl)-N-propylpropan-1-amine
CID 116690983
1-(2,5-dimethylphenyl)-N-ethylpropan-1-amine
CID 43490783
N-ethyl-1-(5-ethyl-1-benzofuran-2-yl)propan-1-amine
CID 65440784
1-[5-(5-bromo-2-methylphenyl)furan-2-yl]-N-ethylpropan-1-amine
CID 63398851
1-(5-bromo-4,6-dimethyl-1-benzofuran-2-yl)-N-ethylpropan-1-amine
CID 107727166
2-(cyclohexen-1-yl)-N-ethyl-1-(7-methyl-1-benzofuran-2-yl)ethanamine
CID 114731034

Frequently Asked Questions

What is the IUPAC name of 1-(6,7-dimethyl-1-benzofuran-2-yl)-N-ethylpropan-1-amine?
The IUPAC name of 1-(6,7-dimethyl-1-benzofuran-2-yl)-N-ethylpropan-1-amine (CID 65440199) is 1-(6,7-dimethyl-1-benzofuran-2-yl)-N-ethylpropan-1-amine.
What is the SMILES notation for 1-(6,7-dimethyl-1-benzofuran-2-yl)-N-ethylpropan-1-amine?
The canonical SMILES for 1-(6,7-dimethyl-1-benzofuran-2-yl)-N-ethylpropan-1-amine is CCNC(CC)c1cc2ccc(C)c(C)c2o1.
What is the InChIKey of 1-(6,7-dimethyl-1-benzofuran-2-yl)-N-ethylpropan-1-amine?
The InChIKey is DKSHLWZSFLLOJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO/c1-5-13(16-6-2)14-9-12-8-7-10(3)11(4)15(12)17-14/h7-9,13,16H,5-6H2,1-4H3.
What are the key properties of 1-(6,7-dimethyl-1-benzofuran-2-yl)-N-ethylpropan-1-amine?
1-(6,7-dimethyl-1-benzofuran-2-yl)-N-ethylpropan-1-amine has a molecular weight of 231.34 g/mol, XLogP of 4.11, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6,7-dimethyl-1-benzofuran-2-yl)-N-ethylpropan-1-amine is sourced from PubChem (CID 65440199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).