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

C17H25NO — CID 65440774

IUPAC1-(6,7-dimethyl-1-benzofuran-2-yl)-2-methyl-N-propylpropan-1-amine
SMILESCCCNC(c1cc2ccc(C)c(C)c2o1)C(C)C
InChIInChI=1S/C17H25NO/c1-6-9-18-16(11(2)3)15-10-14-8-7-12(4)13(5)17(14)19-15/h7-8,10-11,16,18H,6,9H2,1-5H3
InChIKeyRCADLXZPLZOUHV-UHFFFAOYSA-N
MW259.39 g/mol
LogP4.75
Rot. Bonds5

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

1-(6,7-dimethyl-1-benzofuran-2-yl)-2-methyl-N-propylpropan-1-amine (PubChem CID 65440774) has the molecular formula C17H25NO and a molecular weight of 259.39 g/mol. Its IUPAC name is 1-(6,7-dimethyl-1-benzofuran-2-yl)-2-methyl-N-propylpropan-1-amine.

Molecular Properties

Compound Name1-(6,7-dimethyl-1-benzofuran-2-yl)-2-methyl-N-propylpropan-1-amine
PubChem CID65440774
Molecular FormulaC17H25NO
Molecular Weight259.39 g/mol
Exact Mass259.19
IUPAC Name1-(6,7-dimethyl-1-benzofuran-2-yl)-2-methyl-N-propylpropan-1-amine
SMILESCCCNC(c1cc2ccc(C)c(C)c2o1)C(C)C
InChIInChI=1S/C17H25NO/c1-6-9-18-16(11(2)3)15-10-14-8-7-12(4)13(5)17(14)19-15/h7-8,10-11,16,18H,6,9H2,1-5H3
InChIKeyRCADLXZPLZOUHV-UHFFFAOYSA-N
XLogP4.75
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.39
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(6,7-dimethyl-1-benzofuran-2-yl)-N,2-dimethylpropan-1-amine
CID 65440389
1-(6,7-dichloro-1-benzofuran-2-yl)-2-methyl-N-propylpropan-1-amine
CID 65440193
1-(6,7-dimethyl-1-benzofuran-2-yl)-N-ethylpropan-1-amine
CID 65440199
1-(5,7-dichloro-1-benzofuran-2-yl)-2-methyl-N-propylpropan-1-amine
CID 65439450
1-(7-fluoro-1-benzofuran-2-yl)-2,3-dimethyl-N-propylbutan-1-amine
CID 105047391
1-(6,7-difluoro-1-benzofuran-2-yl)-N-ethyl-2-methylpropan-1-amine
CID 65441173
1-(6,7-dichloro-1-benzofuran-2-yl)-N-ethyl-2-methylpropan-1-amine
CID 65440192
2,3-dimethyl-1-(5-methyl-1-benzofuran-2-yl)-N-propylbutan-1-amine
CID 105045138
1-(7-chloro-1-benzofuran-2-yl)-2-ethyl-N-propylbutan-1-amine
CID 105048645
N-ethyl-1-(4-fluoro-7-methyl-1-benzofuran-2-yl)-2-methylpropan-1-amine
CID 102990713
1-(7-bromo-1-benzofuran-2-yl)-N-ethyl-2-methylpropan-1-amine
CID 65438864
N-[(7-methyl-1-benzofuran-2-yl)-(3-methylthiophen-2-yl)methyl]propan-1-amine
CID 105045492

Frequently Asked Questions

What is the IUPAC name of 1-(6,7-dimethyl-1-benzofuran-2-yl)-2-methyl-N-propylpropan-1-amine?
The IUPAC name of 1-(6,7-dimethyl-1-benzofuran-2-yl)-2-methyl-N-propylpropan-1-amine (CID 65440774) is 1-(6,7-dimethyl-1-benzofuran-2-yl)-2-methyl-N-propylpropan-1-amine.
What is the SMILES notation for 1-(6,7-dimethyl-1-benzofuran-2-yl)-2-methyl-N-propylpropan-1-amine?
The canonical SMILES for 1-(6,7-dimethyl-1-benzofuran-2-yl)-2-methyl-N-propylpropan-1-amine is CCCNC(c1cc2ccc(C)c(C)c2o1)C(C)C.
What is the InChIKey of 1-(6,7-dimethyl-1-benzofuran-2-yl)-2-methyl-N-propylpropan-1-amine?
The InChIKey is RCADLXZPLZOUHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO/c1-6-9-18-16(11(2)3)15-10-14-8-7-12(4)13(5)17(14)19-15/h7-8,10-11,16,18H,6,9H2,1-5H3.
What are the key properties of 1-(6,7-dimethyl-1-benzofuran-2-yl)-2-methyl-N-propylpropan-1-amine?
1-(6,7-dimethyl-1-benzofuran-2-yl)-2-methyl-N-propylpropan-1-amine has a molecular weight of 259.39 g/mol, XLogP of 4.75, 5 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)-2-methyl-N-propylpropan-1-amine is sourced from PubChem (CID 65440774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).