2-(2-cyclobutyl-4,5,6,7-tetrahydro-1-benzofuran-3-yl)ethanamine

C14H21NO — CID 84787034

IUPAC2-(2-cyclobutyl-4,5,6,7-tetrahydro-1-benzofuran-3-yl)ethanamine
SMILESNCCc1c(C2CCC2)oc2c1CCCC2
InChIInChI=1S/C14H21NO/c15-9-8-12-11-6-1-2-7-13(11)16-14(12)10-4-3-5-10/h10H,1-9,15H2
InChIKeyIYQVUKGLAOQALT-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.93
Rot. Bonds3

About 2-(2-cyclobutyl-4,5,6,7-tetrahydro-1-benzofuran-3-yl)ethanamine

2-(2-cyclobutyl-4,5,6,7-tetrahydro-1-benzofuran-3-yl)ethanamine (PubChem CID 84787034) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is 2-(2-cyclobutyl-4,5,6,7-tetrahydro-1-benzofuran-3-yl)ethanamine.

Molecular Properties

Compound Name2-(2-cyclobutyl-4,5,6,7-tetrahydro-1-benzofuran-3-yl)ethanamine
PubChem CID84787034
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name2-(2-cyclobutyl-4,5,6,7-tetrahydro-1-benzofuran-3-yl)ethanamine
SMILESNCCc1c(C2CCC2)oc2c1CCCC2
InChIInChI=1S/C14H21NO/c15-9-8-12-11-6-1-2-7-13(11)16-14(12)10-4-3-5-10/h10H,1-9,15H2
InChIKeyIYQVUKGLAOQALT-UHFFFAOYSA-N
XLogP2.93
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-cyclobutyl-4,5,6,7-tetrahydro-1-benzofuran-3-yl)ethanamine?
The IUPAC name of 2-(2-cyclobutyl-4,5,6,7-tetrahydro-1-benzofuran-3-yl)ethanamine (CID 84787034) is 2-(2-cyclobutyl-4,5,6,7-tetrahydro-1-benzofuran-3-yl)ethanamine.
What is the SMILES notation for 2-(2-cyclobutyl-4,5,6,7-tetrahydro-1-benzofuran-3-yl)ethanamine?
The canonical SMILES for 2-(2-cyclobutyl-4,5,6,7-tetrahydro-1-benzofuran-3-yl)ethanamine is NCCc1c(C2CCC2)oc2c1CCCC2.
What is the InChIKey of 2-(2-cyclobutyl-4,5,6,7-tetrahydro-1-benzofuran-3-yl)ethanamine?
The InChIKey is IYQVUKGLAOQALT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c15-9-8-12-11-6-1-2-7-13(11)16-14(12)10-4-3-5-10/h10H,1-9,15H2.
What are the key properties of 2-(2-cyclobutyl-4,5,6,7-tetrahydro-1-benzofuran-3-yl)ethanamine?
2-(2-cyclobutyl-4,5,6,7-tetrahydro-1-benzofuran-3-yl)ethanamine has a molecular weight of 219.33 g/mol, XLogP of 2.93, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyclobutyl-4,5,6,7-tetrahydro-1-benzofuran-3-yl)ethanamine is sourced from PubChem (CID 84787034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).