N-[[5-(2-methylbutan-2-yl)-3-propan-2-yl-1-benzofuran-2-yl]methyl]ethanamine

C19H29NO — CID 114375945

IUPACN-[[5-(2-methylbutan-2-yl)-3-propan-2-yl-1-benzofuran-2-yl]methyl]ethanamine
SMILESCCNCc1oc2ccc(C(C)(C)CC)cc2c1C(C)C
InChIInChI=1S/C19H29NO/c1-7-19(5,6)14-9-10-16-15(11-14)18(13(3)4)17(21-16)12-20-8-2/h9-11,13,20H,7-8,12H2,1-6H3
InChIKeyLRHRIYKRDUMINJ-UHFFFAOYSA-N
MW287.45 g/mol
LogP5.35
Rot. Bonds6

About N-[[5-(2-methylbutan-2-yl)-3-propan-2-yl-1-benzofuran-2-yl]methyl]ethanamine

N-[[5-(2-methylbutan-2-yl)-3-propan-2-yl-1-benzofuran-2-yl]methyl]ethanamine (PubChem CID 114375945) has the molecular formula C19H29NO and a molecular weight of 287.45 g/mol. Its IUPAC name is N-[[5-(2-methylbutan-2-yl)-3-propan-2-yl-1-benzofuran-2-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[5-(2-methylbutan-2-yl)-3-propan-2-yl-1-benzofuran-2-yl]methyl]ethanamine
PubChem CID114375945
Molecular FormulaC19H29NO
Molecular Weight287.45 g/mol
Exact Mass287.22
IUPAC NameN-[[5-(2-methylbutan-2-yl)-3-propan-2-yl-1-benzofuran-2-yl]methyl]ethanamine
SMILESCCNCc1oc2ccc(C(C)(C)CC)cc2c1C(C)C
InChIInChI=1S/C19H29NO/c1-7-19(5,6)14-9-10-16-15(11-14)18(13(3)4)17(21-16)12-20-8-2/h9-11,13,20H,7-8,12H2,1-6H3
InChIKeyLRHRIYKRDUMINJ-UHFFFAOYSA-N
XLogP5.35
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500287.45
LogP ≤ 55.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(2-methylbutan-2-yl)-3-propan-2-yl-1-benzofuran-2-yl]methyl]ethanamine?
The IUPAC name of N-[[5-(2-methylbutan-2-yl)-3-propan-2-yl-1-benzofuran-2-yl]methyl]ethanamine (CID 114375945) is N-[[5-(2-methylbutan-2-yl)-3-propan-2-yl-1-benzofuran-2-yl]methyl]ethanamine.
What is the SMILES notation for N-[[5-(2-methylbutan-2-yl)-3-propan-2-yl-1-benzofuran-2-yl]methyl]ethanamine?
The canonical SMILES for N-[[5-(2-methylbutan-2-yl)-3-propan-2-yl-1-benzofuran-2-yl]methyl]ethanamine is CCNCc1oc2ccc(C(C)(C)CC)cc2c1C(C)C.
What is the InChIKey of N-[[5-(2-methylbutan-2-yl)-3-propan-2-yl-1-benzofuran-2-yl]methyl]ethanamine?
The InChIKey is LRHRIYKRDUMINJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NO/c1-7-19(5,6)14-9-10-16-15(11-14)18(13(3)4)17(21-16)12-20-8-2/h9-11,13,20H,7-8,12H2,1-6H3.
What are the key properties of N-[[5-(2-methylbutan-2-yl)-3-propan-2-yl-1-benzofuran-2-yl]methyl]ethanamine?
N-[[5-(2-methylbutan-2-yl)-3-propan-2-yl-1-benzofuran-2-yl]methyl]ethanamine has a molecular weight of 287.45 g/mol, XLogP of 5.35, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(2-methylbutan-2-yl)-3-propan-2-yl-1-benzofuran-2-yl]methyl]ethanamine is sourced from PubChem (CID 114375945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).