3-(1,3-dihydro-2-benzofuran-5-yl)-2-ethylcyclobutan-1-amine

C14H19NO — CID 81415628

IUPAC3-(1,3-dihydro-2-benzofuran-5-yl)-2-ethylcyclobutan-1-amine
SMILESCCC1C(N)CC1c1ccc2c(c1)COC2
InChIInChI=1S/C14H19NO/c1-2-12-13(6-14(12)15)9-3-4-10-7-16-8-11(10)5-9/h3-5,12-14H,2,6-8,15H2,1H3
InChIKeyGRNWJSLNTVZZEE-UHFFFAOYSA-N
MW217.31 g/mol
LogP2.56
Rot. Bonds2

About 3-(1,3-dihydro-2-benzofuran-5-yl)-2-ethylcyclobutan-1-amine

3-(1,3-dihydro-2-benzofuran-5-yl)-2-ethylcyclobutan-1-amine (PubChem CID 81415628) has the molecular formula C14H19NO and a molecular weight of 217.31 g/mol. Its IUPAC name is 3-(1,3-dihydro-2-benzofuran-5-yl)-2-ethylcyclobutan-1-amine.

Molecular Properties

Compound Name3-(1,3-dihydro-2-benzofuran-5-yl)-2-ethylcyclobutan-1-amine
PubChem CID81415628
Molecular FormulaC14H19NO
Molecular Weight217.31 g/mol
Exact Mass217.15
IUPAC Name3-(1,3-dihydro-2-benzofuran-5-yl)-2-ethylcyclobutan-1-amine
SMILESCCC1C(N)CC1c1ccc2c(c1)COC2
InChIInChI=1S/C14H19NO/c1-2-12-13(6-14(12)15)9-3-4-10-7-16-8-11(10)5-9/h3-5,12-14H,2,6-8,15H2,1H3
InChIKeyGRNWJSLNTVZZEE-UHFFFAOYSA-N
XLogP2.56
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(1,3-dihydro-2-benzofuran-5-yl)-2-ethylcyclobutan-1-amine?
The IUPAC name of 3-(1,3-dihydro-2-benzofuran-5-yl)-2-ethylcyclobutan-1-amine (CID 81415628) is 3-(1,3-dihydro-2-benzofuran-5-yl)-2-ethylcyclobutan-1-amine.
What is the SMILES notation for 3-(1,3-dihydro-2-benzofuran-5-yl)-2-ethylcyclobutan-1-amine?
The canonical SMILES for 3-(1,3-dihydro-2-benzofuran-5-yl)-2-ethylcyclobutan-1-amine is CCC1C(N)CC1c1ccc2c(c1)COC2.
What is the InChIKey of 3-(1,3-dihydro-2-benzofuran-5-yl)-2-ethylcyclobutan-1-amine?
The InChIKey is GRNWJSLNTVZZEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO/c1-2-12-13(6-14(12)15)9-3-4-10-7-16-8-11(10)5-9/h3-5,12-14H,2,6-8,15H2,1H3.
What are the key properties of 3-(1,3-dihydro-2-benzofuran-5-yl)-2-ethylcyclobutan-1-amine?
3-(1,3-dihydro-2-benzofuran-5-yl)-2-ethylcyclobutan-1-amine has a molecular weight of 217.31 g/mol, XLogP of 2.56, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-dihydro-2-benzofuran-5-yl)-2-ethylcyclobutan-1-amine is sourced from PubChem (CID 81415628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).