N,5,7-trimethyl-2,3-dihydro-1-benzofuran-3-amine

C11H15NO — CID 43512547

IUPACN,5,7-trimethyl-2,3-dihydro-1-benzofuran-3-amine
SMILESCNC1COc2c(C)cc(C)cc21
InChIInChI=1S/C11H15NO/c1-7-4-8(2)11-9(5-7)10(12-3)6-13-11/h4-5,10,12H,6H2,1-3H3
InChIKeyIIXXMXPZIJGZBG-UHFFFAOYSA-N
MW177.25 g/mol
LogP1.96
Rot. Bonds1

About N,5,7-trimethyl-2,3-dihydro-1-benzofuran-3-amine

N,5,7-trimethyl-2,3-dihydro-1-benzofuran-3-amine (PubChem CID 43512547) has the molecular formula C11H15NO and a molecular weight of 177.25 g/mol. Its IUPAC name is N,5,7-trimethyl-2,3-dihydro-1-benzofuran-3-amine.

Molecular Properties

Compound NameN,5,7-trimethyl-2,3-dihydro-1-benzofuran-3-amine
PubChem CID43512547
Molecular FormulaC11H15NO
Molecular Weight177.25 g/mol
Exact Mass177.12
IUPAC NameN,5,7-trimethyl-2,3-dihydro-1-benzofuran-3-amine
SMILESCNC1COc2c(C)cc(C)cc21
InChIInChI=1S/C11H15NO/c1-7-4-8(2)11-9(5-7)10(12-3)6-13-11/h4-5,10,12H,6H2,1-3H3
InChIKeyIIXXMXPZIJGZBG-UHFFFAOYSA-N
XLogP1.96
TPSA21.26 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 ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,5,7-trimethyl-2,3-dihydro-1-benzofuran-3-amine?
The IUPAC name of N,5,7-trimethyl-2,3-dihydro-1-benzofuran-3-amine (CID 43512547) is N,5,7-trimethyl-2,3-dihydro-1-benzofuran-3-amine.
What is the SMILES notation for N,5,7-trimethyl-2,3-dihydro-1-benzofuran-3-amine?
The canonical SMILES for N,5,7-trimethyl-2,3-dihydro-1-benzofuran-3-amine is CNC1COc2c(C)cc(C)cc21.
What is the InChIKey of N,5,7-trimethyl-2,3-dihydro-1-benzofuran-3-amine?
The InChIKey is IIXXMXPZIJGZBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO/c1-7-4-8(2)11-9(5-7)10(12-3)6-13-11/h4-5,10,12H,6H2,1-3H3.
What are the key properties of N,5,7-trimethyl-2,3-dihydro-1-benzofuran-3-amine?
N,5,7-trimethyl-2,3-dihydro-1-benzofuran-3-amine has a molecular weight of 177.25 g/mol, XLogP of 1.96, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,5,7-trimethyl-2,3-dihydro-1-benzofuran-3-amine is sourced from PubChem (CID 43512547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).