1-(5-butan-2-yl-3-methyl-1-benzofuran-2-yl)-N-ethylethanamine

C17H25NO — CID 107667356

IUPAC1-(5-butan-2-yl-3-methyl-1-benzofuran-2-yl)-N-ethylethanamine
SMILESCCNC(C)c1oc2ccc(C(C)CC)cc2c1C
InChIInChI=1S/C17H25NO/c1-6-11(3)14-8-9-16-15(10-14)12(4)17(19-16)13(5)18-7-2/h8-11,13,18H,6-7H2,1-5H3
InChIKeyIWMLKGUINMTUTL-UHFFFAOYSA-N
MW259.39 g/mol
LogP4.93
Rot. Bonds5

About 1-(5-butan-2-yl-3-methyl-1-benzofuran-2-yl)-N-ethylethanamine

1-(5-butan-2-yl-3-methyl-1-benzofuran-2-yl)-N-ethylethanamine (PubChem CID 107667356) has the molecular formula C17H25NO and a molecular weight of 259.39 g/mol. Its IUPAC name is 1-(5-butan-2-yl-3-methyl-1-benzofuran-2-yl)-N-ethylethanamine.

Molecular Properties

Compound Name1-(5-butan-2-yl-3-methyl-1-benzofuran-2-yl)-N-ethylethanamine
PubChem CID107667356
Molecular FormulaC17H25NO
Molecular Weight259.39 g/mol
Exact Mass259.19
IUPAC Name1-(5-butan-2-yl-3-methyl-1-benzofuran-2-yl)-N-ethylethanamine
SMILESCCNC(C)c1oc2ccc(C(C)CC)cc2c1C
InChIInChI=1S/C17H25NO/c1-6-11(3)14-8-9-16-15(10-14)12(4)17(19-16)13(5)18-7-2/h8-11,13,18H,6-7H2,1-5H3
InChIKeyIWMLKGUINMTUTL-UHFFFAOYSA-N
XLogP4.93
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 ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-butan-2-yl-3-methyl-1-benzofuran-2-yl)ethanone
CID 107667352
(5-butan-2-yl-3-methyl-1-benzofuran-2-yl)methanamine
CID 107668321
N-[1-(5-iodo-3-methyl-1-benzofuran-2-yl)ethyl]propan-1-amine
CID 63398602
N-[(5-butan-2-yl-3-propyl-1-benzofuran-2-yl)methyl]propan-2-amine
CID 107669906
3-methyl-2,5-di(propan-2-yl)-1-benzofuran
CID 154693825
1-(5-butan-2-yl-1-benzofuran-2-yl)-N-ethyl-2-methylpropan-1-amine
CID 107669269
N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]propan-1-amine
CID 43754997
1-[4-(4-butan-2-ylphenyl)phenyl]-N-ethylethanamine
CID 63424435
N-ethyl-1-(5-fluoro-3-methyl-1-benzofuran-2-yl)butan-1-amine
CID 105080133
(5-butan-2-yl-1-benzofuran-2-yl)methanamine
CID 107668317
N-[(5-butan-2-yl-1-benzofuran-3-yl)methyl]ethanamine
CID 107669328
2-butan-2-yl-8-phenyldibenzofuran;ethane
CID 142405868

Frequently Asked Questions

What is the IUPAC name of 1-(5-butan-2-yl-3-methyl-1-benzofuran-2-yl)-N-ethylethanamine?
The IUPAC name of 1-(5-butan-2-yl-3-methyl-1-benzofuran-2-yl)-N-ethylethanamine (CID 107667356) is 1-(5-butan-2-yl-3-methyl-1-benzofuran-2-yl)-N-ethylethanamine.
What is the SMILES notation for 1-(5-butan-2-yl-3-methyl-1-benzofuran-2-yl)-N-ethylethanamine?
The canonical SMILES for 1-(5-butan-2-yl-3-methyl-1-benzofuran-2-yl)-N-ethylethanamine is CCNC(C)c1oc2ccc(C(C)CC)cc2c1C.
What is the InChIKey of 1-(5-butan-2-yl-3-methyl-1-benzofuran-2-yl)-N-ethylethanamine?
The InChIKey is IWMLKGUINMTUTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO/c1-6-11(3)14-8-9-16-15(10-14)12(4)17(19-16)13(5)18-7-2/h8-11,13,18H,6-7H2,1-5H3.
What are the key properties of 1-(5-butan-2-yl-3-methyl-1-benzofuran-2-yl)-N-ethylethanamine?
1-(5-butan-2-yl-3-methyl-1-benzofuran-2-yl)-N-ethylethanamine has a molecular weight of 259.39 g/mol, XLogP of 4.93, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-butan-2-yl-3-methyl-1-benzofuran-2-yl)-N-ethylethanamine is sourced from PubChem (CID 107667356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).