(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanamine

C10H13NO — CID 6485437

IUPAC(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanamine
SMILESCC1Cc2cc(CN)ccc2O1
InChIInChI=1S/C10H13NO/c1-7-4-9-5-8(6-11)2-3-10(9)12-7/h2-3,5,7H,4,6,11H2,1H3
InChIKeyHRICJDUBSORGIY-UHFFFAOYSA-N
MW163.22 g/mol
LogP1.47
Rot. Bonds1

About (2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanamine

(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanamine (PubChem CID 6485437) has the molecular formula C10H13NO and a molecular weight of 163.22 g/mol. Its IUPAC name is (2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanamine.

Molecular Properties

Compound Name(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanamine
PubChem CID6485437
Molecular FormulaC10H13NO
Molecular Weight163.22 g/mol
Exact Mass163.10
IUPAC Name(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanamine
SMILESCC1Cc2cc(CN)ccc2O1
InChIInChI=1S/C10H13NO/c1-7-4-9-5-8(6-11)2-3-10(9)12-7/h2-3,5,7H,4,6,11H2,1H3
InChIKeyHRICJDUBSORGIY-UHFFFAOYSA-N
XLogP1.47
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanamine?
The IUPAC name of (2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanamine (CID 6485437) is (2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanamine.
What is the SMILES notation for (2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanamine?
The canonical SMILES for (2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanamine is CC1Cc2cc(CN)ccc2O1.
What is the InChIKey of (2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanamine?
The InChIKey is HRICJDUBSORGIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO/c1-7-4-9-5-8(6-11)2-3-10(9)12-7/h2-3,5,7H,4,6,11H2,1H3.
What are the key properties of (2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanamine?
(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanamine has a molecular weight of 163.22 g/mol, XLogP of 1.47, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanamine is sourced from PubChem (CID 6485437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).