1-(5-ethyl-1-benzofuran-2-yl)-N-methylpropan-1-amine

C14H19NO — CID 65441154

IUPAC1-(5-ethyl-1-benzofuran-2-yl)-N-methylpropan-1-amine
SMILESCCc1ccc2oc(C(CC)NC)cc2c1
InChIInChI=1S/C14H19NO/c1-4-10-6-7-13-11(8-10)9-14(16-13)12(5-2)15-3/h6-9,12,15H,4-5H2,1-3H3
InChIKeyHJSBKLHALFIBNC-UHFFFAOYSA-N
MW217.31 g/mol
LogP3.67
Rot. Bonds4

About 1-(5-ethyl-1-benzofuran-2-yl)-N-methylpropan-1-amine

1-(5-ethyl-1-benzofuran-2-yl)-N-methylpropan-1-amine (PubChem CID 65441154) has the molecular formula C14H19NO and a molecular weight of 217.31 g/mol. Its IUPAC name is 1-(5-ethyl-1-benzofuran-2-yl)-N-methylpropan-1-amine.

Molecular Properties

Compound Name1-(5-ethyl-1-benzofuran-2-yl)-N-methylpropan-1-amine
PubChem CID65441154
Molecular FormulaC14H19NO
Molecular Weight217.31 g/mol
Exact Mass217.15
IUPAC Name1-(5-ethyl-1-benzofuran-2-yl)-N-methylpropan-1-amine
SMILESCCc1ccc2oc(C(CC)NC)cc2c1
InChIInChI=1S/C14H19NO/c1-4-10-6-7-13-11(8-10)9-14(16-13)12(5-2)15-3/h6-9,12,15H,4-5H2,1-3H3
InChIKeyHJSBKLHALFIBNC-UHFFFAOYSA-N
XLogP3.67
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-1-(5-ethyl-1-benzofuran-2-yl)propan-1-amine
CID 65440784
1-(5-ethyl-1-benzofuran-2-yl)butan-1-ol
CID 65439756
1-(5-butyl-1-benzofuran-2-yl)-N-propylpropan-1-amine
CID 115493598
1-(5-fluoro-1-benzofuran-2-yl)-N,3-dimethylpentan-1-amine
CID 105046111
1-(5-fluoro-1-benzofuran-2-yl)propylhydrazine
CID 105201183
(4-chlorophenyl)-(5-ethyl-1-benzofuran-2-yl)methanamine
CID 43826510
N-methyl-1-(5-methyl-1-benzofuran-2-yl)heptan-1-amine
CID 105045111
(5-ethyl-1-benzofuran-2-yl)methanol
CID 65439757
(2R)-N-methyl-1-(2-methyl-1-benzofuran-5-yl)butan-2-amine
CID 170234991
methyl 5-ethyl-1-benzofuran-2-carboxylate
CID 121014658
1-(1-benzofuran-2-yl)-N-methyl-2-phenylethanamine
CID 61064024
1-(1-benzofuran-2-yl)-2-(4-fluorophenyl)-N-methylethanamine
CID 61064663

Frequently Asked Questions

What is the IUPAC name of 1-(5-ethyl-1-benzofuran-2-yl)-N-methylpropan-1-amine?
The IUPAC name of 1-(5-ethyl-1-benzofuran-2-yl)-N-methylpropan-1-amine (CID 65441154) is 1-(5-ethyl-1-benzofuran-2-yl)-N-methylpropan-1-amine.
What is the SMILES notation for 1-(5-ethyl-1-benzofuran-2-yl)-N-methylpropan-1-amine?
The canonical SMILES for 1-(5-ethyl-1-benzofuran-2-yl)-N-methylpropan-1-amine is CCc1ccc2oc(C(CC)NC)cc2c1.
What is the InChIKey of 1-(5-ethyl-1-benzofuran-2-yl)-N-methylpropan-1-amine?
The InChIKey is HJSBKLHALFIBNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO/c1-4-10-6-7-13-11(8-10)9-14(16-13)12(5-2)15-3/h6-9,12,15H,4-5H2,1-3H3.
What are the key properties of 1-(5-ethyl-1-benzofuran-2-yl)-N-methylpropan-1-amine?
1-(5-ethyl-1-benzofuran-2-yl)-N-methylpropan-1-amine has a molecular weight of 217.31 g/mol, XLogP of 3.67, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-ethyl-1-benzofuran-2-yl)-N-methylpropan-1-amine is sourced from PubChem (CID 65441154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).