4-cyclopropyl-2-methyl-1-benzofuran;methanamine

C13H17NO — CID 174382273

IUPAC4-cyclopropyl-2-methyl-1-benzofuran;methanamine
SMILESCN.Cc1cc2c(C3CC3)cccc2o1
InChIInChI=1S/C12H12O.CH5N/c1-8-7-11-10(9-5-6-9)3-2-4-12(11)13-8;1-2/h2-4,7,9H,5-6H2,1H3;2H2,1H3
InChIKeyHMQNUBLHYQMPLF-UHFFFAOYSA-N
MW203.28 g/mol
LogP3.19
Rot. Bonds1

About 4-cyclopropyl-2-methyl-1-benzofuran;methanamine

4-cyclopropyl-2-methyl-1-benzofuran;methanamine (PubChem CID 174382273) has the molecular formula C13H17NO and a molecular weight of 203.28 g/mol. Its IUPAC name is 4-cyclopropyl-2-methyl-1-benzofuran;methanamine.

Molecular Properties

Compound Name4-cyclopropyl-2-methyl-1-benzofuran;methanamine
PubChem CID174382273
Molecular FormulaC13H17NO
Molecular Weight203.28 g/mol
Exact Mass203.13
IUPAC Name4-cyclopropyl-2-methyl-1-benzofuran;methanamine
SMILESCN.Cc1cc2c(C3CC3)cccc2o1
InChIInChI=1S/C12H12O.CH5N/c1-8-7-11-10(9-5-6-9)3-2-4-12(11)13-8;1-2/h2-4,7,9H,5-6H2,1H3;2H2,1H3
InChIKeyHMQNUBLHYQMPLF-UHFFFAOYSA-N
XLogP3.19
TPSA39.16 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 ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-2-methyl-1-benzofuran;methanamine?
The IUPAC name of 4-cyclopropyl-2-methyl-1-benzofuran;methanamine (CID 174382273) is 4-cyclopropyl-2-methyl-1-benzofuran;methanamine.
What is the SMILES notation for 4-cyclopropyl-2-methyl-1-benzofuran;methanamine?
The canonical SMILES for 4-cyclopropyl-2-methyl-1-benzofuran;methanamine is CN.Cc1cc2c(C3CC3)cccc2o1.
What is the InChIKey of 4-cyclopropyl-2-methyl-1-benzofuran;methanamine?
The InChIKey is HMQNUBLHYQMPLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12O.CH5N/c1-8-7-11-10(9-5-6-9)3-2-4-12(11)13-8;1-2/h2-4,7,9H,5-6H2,1H3;2H2,1H3.
What are the key properties of 4-cyclopropyl-2-methyl-1-benzofuran;methanamine?
4-cyclopropyl-2-methyl-1-benzofuran;methanamine has a molecular weight of 203.28 g/mol, XLogP of 3.19, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-2-methyl-1-benzofuran;methanamine is sourced from PubChem (CID 174382273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).