1-(5-propyl-1-benzofuran-2-yl)ethanamine

C13H17NO — CID 65439611

IUPAC1-(5-propyl-1-benzofuran-2-yl)ethanamine
SMILESCCCc1ccc2oc(C(C)N)cc2c1
InChIInChI=1S/C13H17NO/c1-3-4-10-5-6-12-11(7-10)8-13(15-12)9(2)14/h5-9H,3-4,14H2,1-2H3
InChIKeyMLPSMEGZRJZNRC-UHFFFAOYSA-N
MW203.28 g/mol
LogP3.40
Rot. Bonds3

About 1-(5-propyl-1-benzofuran-2-yl)ethanamine

1-(5-propyl-1-benzofuran-2-yl)ethanamine (PubChem CID 65439611) has the molecular formula C13H17NO and a molecular weight of 203.28 g/mol. Its IUPAC name is 1-(5-propyl-1-benzofuran-2-yl)ethanamine.

Molecular Properties

Compound Name1-(5-propyl-1-benzofuran-2-yl)ethanamine
PubChem CID65439611
Molecular FormulaC13H17NO
Molecular Weight203.28 g/mol
Exact Mass203.13
IUPAC Name1-(5-propyl-1-benzofuran-2-yl)ethanamine
SMILESCCCc1ccc2oc(C(C)N)cc2c1
InChIInChI=1S/C13H17NO/c1-3-4-10-5-6-12-11(7-10)8-13(15-12)9(2)14/h5-9H,3-4,14H2,1-2H3
InChIKeyMLPSMEGZRJZNRC-UHFFFAOYSA-N
XLogP3.40
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.28
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(5-propyl-1-benzofuran-2-yl)ethanamine?
The IUPAC name of 1-(5-propyl-1-benzofuran-2-yl)ethanamine (CID 65439611) is 1-(5-propyl-1-benzofuran-2-yl)ethanamine.
What is the SMILES notation for 1-(5-propyl-1-benzofuran-2-yl)ethanamine?
The canonical SMILES for 1-(5-propyl-1-benzofuran-2-yl)ethanamine is CCCc1ccc2oc(C(C)N)cc2c1.
What is the InChIKey of 1-(5-propyl-1-benzofuran-2-yl)ethanamine?
The InChIKey is MLPSMEGZRJZNRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO/c1-3-4-10-5-6-12-11(7-10)8-13(15-12)9(2)14/h5-9H,3-4,14H2,1-2H3.
What are the key properties of 1-(5-propyl-1-benzofuran-2-yl)ethanamine?
1-(5-propyl-1-benzofuran-2-yl)ethanamine has a molecular weight of 203.28 g/mol, XLogP of 3.40, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-propyl-1-benzofuran-2-yl)ethanamine is sourced from PubChem (CID 65439611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).