1-(2-ethyl-1-benzofuran-3-yl)pentan-1-amine

C15H21NO — CID 62956806

IUPAC1-(2-ethyl-1-benzofuran-3-yl)pentan-1-amine
SMILESCCCCC(N)c1c(CC)oc2ccccc12
InChIInChI=1S/C15H21NO/c1-3-5-9-12(16)15-11-8-6-7-10-14(11)17-13(15)4-2/h6-8,10,12H,3-5,9,16H2,1-2H3
InChIKeyQLXITXQKLBNTBQ-UHFFFAOYSA-N
MW231.34 g/mol
LogP4.19
Rot. Bonds5

About 1-(2-ethyl-1-benzofuran-3-yl)pentan-1-amine

1-(2-ethyl-1-benzofuran-3-yl)pentan-1-amine (PubChem CID 62956806) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is 1-(2-ethyl-1-benzofuran-3-yl)pentan-1-amine.

Molecular Properties

Compound Name1-(2-ethyl-1-benzofuran-3-yl)pentan-1-amine
PubChem CID62956806
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC Name1-(2-ethyl-1-benzofuran-3-yl)pentan-1-amine
SMILESCCCCC(N)c1c(CC)oc2ccccc12
InChIInChI=1S/C15H21NO/c1-3-5-9-12(16)15-11-8-6-7-10-14(11)17-13(15)4-2/h6-8,10,12H,3-5,9,16H2,1-2H3
InChIKeyQLXITXQKLBNTBQ-UHFFFAOYSA-N
XLogP4.19
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-ethyl-1-benzofuran-3-yl)pentan-1-amine?
The IUPAC name of 1-(2-ethyl-1-benzofuran-3-yl)pentan-1-amine (CID 62956806) is 1-(2-ethyl-1-benzofuran-3-yl)pentan-1-amine.
What is the SMILES notation for 1-(2-ethyl-1-benzofuran-3-yl)pentan-1-amine?
The canonical SMILES for 1-(2-ethyl-1-benzofuran-3-yl)pentan-1-amine is CCCCC(N)c1c(CC)oc2ccccc12.
What is the InChIKey of 1-(2-ethyl-1-benzofuran-3-yl)pentan-1-amine?
The InChIKey is QLXITXQKLBNTBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO/c1-3-5-9-12(16)15-11-8-6-7-10-14(11)17-13(15)4-2/h6-8,10,12H,3-5,9,16H2,1-2H3.
What are the key properties of 1-(2-ethyl-1-benzofuran-3-yl)pentan-1-amine?
1-(2-ethyl-1-benzofuran-3-yl)pentan-1-amine has a molecular weight of 231.34 g/mol, XLogP of 4.19, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethyl-1-benzofuran-3-yl)pentan-1-amine is sourced from PubChem (CID 62956806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).