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

C18H27NO — CID 81417239

IUPAC3-(1,3-dihydro-2-benzofuran-5-yl)-N,2,2-triethylcyclobutan-1-amine
SMILESCCNC1CC(c2ccc3c(c2)COC3)C1(CC)CC
InChIInChI=1S/C18H27NO/c1-4-18(5-2)16(10-17(18)19-6-3)13-7-8-14-11-20-12-15(14)9-13/h7-9,16-17,19H,4-6,10-12H2,1-3H3
InChIKeyRUMNJEKEOYMHSB-UHFFFAOYSA-N
MW273.42 g/mol
LogP3.99
Rot. Bonds5

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

3-(1,3-dihydro-2-benzofuran-5-yl)-N,2,2-triethylcyclobutan-1-amine (PubChem CID 81417239) has the molecular formula C18H27NO and a molecular weight of 273.42 g/mol. Its IUPAC name is 3-(1,3-dihydro-2-benzofuran-5-yl)-N,2,2-triethylcyclobutan-1-amine.

Molecular Properties

Compound Name3-(1,3-dihydro-2-benzofuran-5-yl)-N,2,2-triethylcyclobutan-1-amine
PubChem CID81417239
Molecular FormulaC18H27NO
Molecular Weight273.42 g/mol
Exact Mass273.21
IUPAC Name3-(1,3-dihydro-2-benzofuran-5-yl)-N,2,2-triethylcyclobutan-1-amine
SMILESCCNC1CC(c2ccc3c(c2)COC3)C1(CC)CC
InChIInChI=1S/C18H27NO/c1-4-18(5-2)16(10-17(18)19-6-3)13-7-8-14-11-20-12-15(14)9-13/h7-9,16-17,19H,4-6,10-12H2,1-3H3
InChIKeyRUMNJEKEOYMHSB-UHFFFAOYSA-N
XLogP3.99
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 53.99
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)-N,2,2-triethylcyclobutan-1-amine?
The IUPAC name of 3-(1,3-dihydro-2-benzofuran-5-yl)-N,2,2-triethylcyclobutan-1-amine (CID 81417239) is 3-(1,3-dihydro-2-benzofuran-5-yl)-N,2,2-triethylcyclobutan-1-amine.
What is the SMILES notation for 3-(1,3-dihydro-2-benzofuran-5-yl)-N,2,2-triethylcyclobutan-1-amine?
The canonical SMILES for 3-(1,3-dihydro-2-benzofuran-5-yl)-N,2,2-triethylcyclobutan-1-amine is CCNC1CC(c2ccc3c(c2)COC3)C1(CC)CC.
What is the InChIKey of 3-(1,3-dihydro-2-benzofuran-5-yl)-N,2,2-triethylcyclobutan-1-amine?
The InChIKey is RUMNJEKEOYMHSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO/c1-4-18(5-2)16(10-17(18)19-6-3)13-7-8-14-11-20-12-15(14)9-13/h7-9,16-17,19H,4-6,10-12H2,1-3H3.
What are the key properties of 3-(1,3-dihydro-2-benzofuran-5-yl)-N,2,2-triethylcyclobutan-1-amine?
3-(1,3-dihydro-2-benzofuran-5-yl)-N,2,2-triethylcyclobutan-1-amine has a molecular weight of 273.42 g/mol, XLogP of 3.99, 5 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)-N,2,2-triethylcyclobutan-1-amine is sourced from PubChem (CID 81417239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).