1-(5,7-dimethyl-1-benzofuran-2-yl)-N,2-dimethylpropan-1-amine

C15H21NO — CID 65440790

IUPAC1-(5,7-dimethyl-1-benzofuran-2-yl)-N,2-dimethylpropan-1-amine
SMILESCNC(c1cc2cc(C)cc(C)c2o1)C(C)C
InChIInChI=1S/C15H21NO/c1-9(2)14(16-5)13-8-12-7-10(3)6-11(4)15(12)17-13/h6-9,14,16H,1-5H3
InChIKeyVSJDXAHSVZXVGM-UHFFFAOYSA-N
MW231.34 g/mol
LogP3.97
Rot. Bonds3

About 1-(5,7-dimethyl-1-benzofuran-2-yl)-N,2-dimethylpropan-1-amine

1-(5,7-dimethyl-1-benzofuran-2-yl)-N,2-dimethylpropan-1-amine (PubChem CID 65440790) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is 1-(5,7-dimethyl-1-benzofuran-2-yl)-N,2-dimethylpropan-1-amine.

Molecular Properties

Compound Name1-(5,7-dimethyl-1-benzofuran-2-yl)-N,2-dimethylpropan-1-amine
PubChem CID65440790
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC Name1-(5,7-dimethyl-1-benzofuran-2-yl)-N,2-dimethylpropan-1-amine
SMILESCNC(c1cc2cc(C)cc(C)c2o1)C(C)C
InChIInChI=1S/C15H21NO/c1-9(2)14(16-5)13-8-12-7-10(3)6-11(4)15(12)17-13/h6-9,14,16H,1-5H3
InChIKeyVSJDXAHSVZXVGM-UHFFFAOYSA-N
XLogP3.97
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 53.97
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-(7-methoxy-5-methyl-1-benzofuran-2-yl)-N-methylethanamine
CID 65440138
2-benzyl-5,7-dimethyl-1-benzofuran
CID 132609124
5,7-dimethyl-1-benzofuran-2-carbaldehyde
CID 10654816
(2E)-1-(5,7-dimethyl-1-benzofuran-2-yl)-2-ethenylpenta-2,4-dien-1-ol;ethane
CID 156724796
(2E)-1-(5,7-dimethyl-1-benzofuran-2-yl)-2-ethenylpenta-2,4-dien-1-ol;ethane
CID 156724733
1-(5-chloro-7-methyl-1-benzofuran-2-yl)-2-methylpropan-1-ol
CID 65426697
1-(7-bromo-5-methyl-1-benzofuran-2-yl)-2-methylpropan-1-amine
CID 65438472
1-(5,7-dimethyl-1-benzofuran-2-yl)ethanone
CID 21481497
1-N-methyl-1-(2,4,6-trimethylphenyl)propane-1,2-diamine
CID 116948064
1-(6,7-dimethyl-1-benzofuran-2-yl)-2-methyl-N-propylpropan-1-amine
CID 65440774
1-(7-chloro-1-benzofuran-2-yl)-2-methoxy-N,3-dimethylbutan-1-amine
CID 114731165

Frequently Asked Questions

What is the IUPAC name of 1-(5,7-dimethyl-1-benzofuran-2-yl)-N,2-dimethylpropan-1-amine?
The IUPAC name of 1-(5,7-dimethyl-1-benzofuran-2-yl)-N,2-dimethylpropan-1-amine (CID 65440790) is 1-(5,7-dimethyl-1-benzofuran-2-yl)-N,2-dimethylpropan-1-amine.
What is the SMILES notation for 1-(5,7-dimethyl-1-benzofuran-2-yl)-N,2-dimethylpropan-1-amine?
The canonical SMILES for 1-(5,7-dimethyl-1-benzofuran-2-yl)-N,2-dimethylpropan-1-amine is CNC(c1cc2cc(C)cc(C)c2o1)C(C)C.
What is the InChIKey of 1-(5,7-dimethyl-1-benzofuran-2-yl)-N,2-dimethylpropan-1-amine?
The InChIKey is VSJDXAHSVZXVGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO/c1-9(2)14(16-5)13-8-12-7-10(3)6-11(4)15(12)17-13/h6-9,14,16H,1-5H3.
What are the key properties of 1-(5,7-dimethyl-1-benzofuran-2-yl)-N,2-dimethylpropan-1-amine?
1-(5,7-dimethyl-1-benzofuran-2-yl)-N,2-dimethylpropan-1-amine has a molecular weight of 231.34 g/mol, XLogP of 3.97, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5,7-dimethyl-1-benzofuran-2-yl)-N,2-dimethylpropan-1-amine is sourced from PubChem (CID 65440790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).