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

C13H17NO — CID 81415884

IUPAC3-(1,3-dihydro-2-benzofuran-5-yl)-2-methylcyclobutan-1-amine
SMILESCC1C(N)CC1c1ccc2c(c1)COC2
InChIInChI=1S/C13H17NO/c1-8-12(5-13(8)14)9-2-3-10-6-15-7-11(10)4-9/h2-4,8,12-13H,5-7,14H2,1H3
InChIKeyOQIQQZKPTQDAQS-UHFFFAOYSA-N
MW203.28 g/mol
LogP2.17
Rot. Bonds1

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

3-(1,3-dihydro-2-benzofuran-5-yl)-2-methylcyclobutan-1-amine (PubChem CID 81415884) has the molecular formula C13H17NO and a molecular weight of 203.28 g/mol. Its IUPAC name is 3-(1,3-dihydro-2-benzofuran-5-yl)-2-methylcyclobutan-1-amine.

Molecular Properties

Compound Name3-(1,3-dihydro-2-benzofuran-5-yl)-2-methylcyclobutan-1-amine
PubChem CID81415884
Molecular FormulaC13H17NO
Molecular Weight203.28 g/mol
Exact Mass203.13
IUPAC Name3-(1,3-dihydro-2-benzofuran-5-yl)-2-methylcyclobutan-1-amine
SMILESCC1C(N)CC1c1ccc2c(c1)COC2
InChIInChI=1S/C13H17NO/c1-8-12(5-13(8)14)9-2-3-10-6-15-7-11(10)4-9/h2-4,8,12-13H,5-7,14H2,1H3
InChIKeyOQIQQZKPTQDAQS-UHFFFAOYSA-N
XLogP2.17
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.28
LogP ≤ 52.17
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-methylcyclobutan-1-amine?
The IUPAC name of 3-(1,3-dihydro-2-benzofuran-5-yl)-2-methylcyclobutan-1-amine (CID 81415884) is 3-(1,3-dihydro-2-benzofuran-5-yl)-2-methylcyclobutan-1-amine.
What is the SMILES notation for 3-(1,3-dihydro-2-benzofuran-5-yl)-2-methylcyclobutan-1-amine?
The canonical SMILES for 3-(1,3-dihydro-2-benzofuran-5-yl)-2-methylcyclobutan-1-amine is CC1C(N)CC1c1ccc2c(c1)COC2.
What is the InChIKey of 3-(1,3-dihydro-2-benzofuran-5-yl)-2-methylcyclobutan-1-amine?
The InChIKey is OQIQQZKPTQDAQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO/c1-8-12(5-13(8)14)9-2-3-10-6-15-7-11(10)4-9/h2-4,8,12-13H,5-7,14H2,1H3.
What are the key properties of 3-(1,3-dihydro-2-benzofuran-5-yl)-2-methylcyclobutan-1-amine?
3-(1,3-dihydro-2-benzofuran-5-yl)-2-methylcyclobutan-1-amine has a molecular weight of 203.28 g/mol, XLogP of 2.17, 1 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-methylcyclobutan-1-amine is sourced from PubChem (CID 81415884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).