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

C11H15NO — CID 82758110

IUPAC(1R)-1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)ethanamine
SMILESCC1Cc2cc([C@@H](C)N)ccc2O1
InChIInChI=1S/C11H15NO/c1-7-5-10-6-9(8(2)12)3-4-11(10)13-7/h3-4,6-8H,5,12H2,1-2H3/t7?,8-/m1/s1
InChIKeyCVNWHOLBLSNSPO-BRFYHDHCSA-N
MW177.25 g/mol
LogP2.03
Rot. Bonds1

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

(1R)-1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)ethanamine (PubChem CID 82758110) has the molecular formula C11H15NO and a molecular weight of 177.25 g/mol. Its IUPAC name is (1R)-1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)ethanamine.

Molecular Properties

Compound Name(1R)-1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)ethanamine
PubChem CID82758110
Molecular FormulaC11H15NO
Molecular Weight177.25 g/mol
Exact Mass177.12
IUPAC Name(1R)-1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)ethanamine
SMILESCC1Cc2cc([C@@H](C)N)ccc2O1
InChIInChI=1S/C11H15NO/c1-7-5-10-6-9(8(2)12)3-4-11(10)13-7/h3-4,6-8H,5,12H2,1-2H3/t7?,8-/m1/s1
InChIKeyCVNWHOLBLSNSPO-BRFYHDHCSA-N
XLogP2.03
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1R)-1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)ethanamine?
The IUPAC name of (1R)-1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)ethanamine (CID 82758110) is (1R)-1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)ethanamine.
What is the SMILES notation for (1R)-1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)ethanamine?
The canonical SMILES for (1R)-1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)ethanamine is CC1Cc2cc([C@@H](C)N)ccc2O1.
What is the InChIKey of (1R)-1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)ethanamine?
The InChIKey is CVNWHOLBLSNSPO-BRFYHDHCSA-N. The full InChI is InChI=1S/C11H15NO/c1-7-5-10-6-9(8(2)12)3-4-11(10)13-7/h3-4,6-8H,5,12H2,1-2H3/t7?,8-/m1/s1.
What are the key properties of (1R)-1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)ethanamine?
(1R)-1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)ethanamine has a molecular weight of 177.25 g/mol, XLogP of 2.03, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)ethanamine is sourced from PubChem (CID 82758110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).