1-(5-bromo-4,6-dimethyl-1-benzofuran-2-yl)-N-ethylpropan-1-amine

C15H20BrNO — CID 107727166

IUPAC1-(5-bromo-4,6-dimethyl-1-benzofuran-2-yl)-N-ethylpropan-1-amine
SMILESCCNC(CC)c1cc2c(C)c(Br)c(C)cc2o1
InChIInChI=1S/C15H20BrNO/c1-5-12(17-6-2)14-8-11-10(4)15(16)9(3)7-13(11)18-14/h7-8,12,17H,5-6H2,1-4H3
InChIKeyLAIJTPDEXMCNGY-UHFFFAOYSA-N
MW310.24 g/mol
LogP4.87
Rot. Bonds4

About 1-(5-bromo-4,6-dimethyl-1-benzofuran-2-yl)-N-ethylpropan-1-amine

1-(5-bromo-4,6-dimethyl-1-benzofuran-2-yl)-N-ethylpropan-1-amine (PubChem CID 107727166) has the molecular formula C15H20BrNO and a molecular weight of 310.24 g/mol. Its IUPAC name is 1-(5-bromo-4,6-dimethyl-1-benzofuran-2-yl)-N-ethylpropan-1-amine.

Molecular Properties

Compound Name1-(5-bromo-4,6-dimethyl-1-benzofuran-2-yl)-N-ethylpropan-1-amine
PubChem CID107727166
Molecular FormulaC15H20BrNO
Molecular Weight310.24 g/mol
Exact Mass309.07
IUPAC Name1-(5-bromo-4,6-dimethyl-1-benzofuran-2-yl)-N-ethylpropan-1-amine
SMILESCCNC(CC)c1cc2c(C)c(Br)c(C)cc2o1
InChIInChI=1S/C15H20BrNO/c1-5-12(17-6-2)14-8-11-10(4)15(16)9(3)7-13(11)18-14/h7-8,12,17H,5-6H2,1-4H3
InChIKeyLAIJTPDEXMCNGY-UHFFFAOYSA-N
XLogP4.87
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.24
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-chloro-4,6-dimethyl-1-benzofuran-2-yl)-N-methylpropan-1-amine
CID 65439269
1-(6,7-dimethyl-1-benzofuran-2-yl)-N-ethylpropan-1-amine
CID 65440199
1-[5-(4-bromo-3-methylphenyl)furan-2-yl]-N-ethylpropan-1-amine
CID 63398685
1-(5-chloro-4,6-dimethyl-1-benzofuran-2-yl)-N-ethyl-2,2-dimethylpropan-1-amine
CID 65439498
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
N-[1-(5-bromo-3,4,6-trimethyl-1-benzofuran-2-yl)ethyl]propan-1-amine
CID 107725506
1-(4-bromo-3,5-dimethylphenyl)-N-propylpropan-1-amine
CID 114330802
1-(5-chlorofuran-2-yl)-N-ethylpropan-1-amine
CID 106691408
N-ethyl-1-(5-methylfuran-3-yl)propan-1-amine
CID 114979725
1-(5-bromofuran-2-yl)-N-ethyl-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethanamine
CID 115844039
1-(5,7-dichloro-1-benzofuran-2-yl)-N-ethylpropan-1-amine
CID 65439053

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-4,6-dimethyl-1-benzofuran-2-yl)-N-ethylpropan-1-amine?
The IUPAC name of 1-(5-bromo-4,6-dimethyl-1-benzofuran-2-yl)-N-ethylpropan-1-amine (CID 107727166) is 1-(5-bromo-4,6-dimethyl-1-benzofuran-2-yl)-N-ethylpropan-1-amine.
What is the SMILES notation for 1-(5-bromo-4,6-dimethyl-1-benzofuran-2-yl)-N-ethylpropan-1-amine?
The canonical SMILES for 1-(5-bromo-4,6-dimethyl-1-benzofuran-2-yl)-N-ethylpropan-1-amine is CCNC(CC)c1cc2c(C)c(Br)c(C)cc2o1.
What is the InChIKey of 1-(5-bromo-4,6-dimethyl-1-benzofuran-2-yl)-N-ethylpropan-1-amine?
The InChIKey is LAIJTPDEXMCNGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrNO/c1-5-12(17-6-2)14-8-11-10(4)15(16)9(3)7-13(11)18-14/h7-8,12,17H,5-6H2,1-4H3.
What are the key properties of 1-(5-bromo-4,6-dimethyl-1-benzofuran-2-yl)-N-ethylpropan-1-amine?
1-(5-bromo-4,6-dimethyl-1-benzofuran-2-yl)-N-ethylpropan-1-amine has a molecular weight of 310.24 g/mol, XLogP of 4.87, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-4,6-dimethyl-1-benzofuran-2-yl)-N-ethylpropan-1-amine is sourced from PubChem (CID 107727166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).