ethane;2-methyl-1-benzofuran-6-amine

C11H15NO — CID 168913967

IUPACethane;2-methyl-1-benzofuran-6-amine
SMILESCC.Cc1cc2ccc(N)cc2o1
InChIInChI=1S/C9H9NO.C2H6/c1-6-4-7-2-3-8(10)5-9(7)11-6;1-2/h2-5H,10H2,1H3;1-2H3
InChIKeyKIFOABVWTJUMHV-UHFFFAOYSA-N
MW177.25 g/mol
LogP3.35
Rot. Bonds

About ethane;2-methyl-1-benzofuran-6-amine

ethane;2-methyl-1-benzofuran-6-amine (PubChem CID 168913967) has the molecular formula C11H15NO and a molecular weight of 177.25 g/mol. Its IUPAC name is ethane;2-methyl-1-benzofuran-6-amine.

Molecular Properties

Compound Nameethane;2-methyl-1-benzofuran-6-amine
PubChem CID168913967
Molecular FormulaC11H15NO
Molecular Weight177.25 g/mol
Exact Mass177.12
IUPAC Nameethane;2-methyl-1-benzofuran-6-amine
SMILESCC.Cc1cc2ccc(N)cc2o1
InChIInChI=1S/C9H9NO.C2H6/c1-6-4-7-2-3-8(10)5-9(7)11-6;1-2/h2-5H,10H2,1H3;1-2H3
InChIKeyKIFOABVWTJUMHV-UHFFFAOYSA-N
XLogP3.35
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

7-aminochromen-2-one;ethane
CID 166456004
2-methyl-1-benzofuran-6-thiol
CID 142143307
2-(aminomethyl)-1-benzofuran-6-amine
CID 45122675
(E)-but-2-ene;ethane;2-methyl-1-benzofuran
CID 143997020
5-(2-methyl-1-benzofuran-6-yl)-1H-pyrazol-3-amine
CID 117304019
ethane;2-methyl-1-benzofuran-5-thiol
CID 142617284
4-(2-methyl-1-benzofuran-6-yl)-1,2-oxazol-5-amine
CID 117305301
2-methyl-6-pentan-3-yl-1-benzofuran
CID 142928007
4-(2-methyl-1-benzofuran-6-yl)-1H-pyrazol-5-amine
CID 117304034
ethane;10-methyl-9-oxatricyclo[11.4.0.03,8]heptadeca-1,3,5,7,10,12,14,16-octaene
CID 156745259
ethane;2-methylfuro[3,2-c]pyridine
CID 176973966
(2-methyl-1-benzofuran-5-yl)hydrazine
CID 45122640

Frequently Asked Questions

What is the IUPAC name of ethane;2-methyl-1-benzofuran-6-amine?
The IUPAC name of ethane;2-methyl-1-benzofuran-6-amine (CID 168913967) is ethane;2-methyl-1-benzofuran-6-amine.
What is the SMILES notation for ethane;2-methyl-1-benzofuran-6-amine?
The canonical SMILES for ethane;2-methyl-1-benzofuran-6-amine is CC.Cc1cc2ccc(N)cc2o1.
What is the InChIKey of ethane;2-methyl-1-benzofuran-6-amine?
The InChIKey is KIFOABVWTJUMHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NO.C2H6/c1-6-4-7-2-3-8(10)5-9(7)11-6;1-2/h2-5H,10H2,1H3;1-2H3.
What are the key properties of ethane;2-methyl-1-benzofuran-6-amine?
ethane;2-methyl-1-benzofuran-6-amine has a molecular weight of 177.25 g/mol, XLogP of 3.35, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-methyl-1-benzofuran-6-amine is sourced from PubChem (CID 168913967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).