ethane;5-methyl-2,3-dihydro-1-benzofuran-6-amine

C11H17NO — CID 145375645

IUPACethane;5-methyl-2,3-dihydro-1-benzofuran-6-amine
SMILESCC.Cc1cc2c(cc1N)OCC2
InChIInChI=1S/C9H11NO.C2H6/c1-6-4-7-2-3-11-9(7)5-8(6)10;1-2/h4-5H,2-3,10H2,1H3;1-2H3
InChIKeyASEKXVIPMFVVLT-UHFFFAOYSA-N
MW179.26 g/mol
LogP2.54
Rot. Bonds

About ethane;5-methyl-2,3-dihydro-1-benzofuran-6-amine

ethane;5-methyl-2,3-dihydro-1-benzofuran-6-amine (PubChem CID 145375645) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is ethane;5-methyl-2,3-dihydro-1-benzofuran-6-amine.

Molecular Properties

Compound Nameethane;5-methyl-2,3-dihydro-1-benzofuran-6-amine
PubChem CID145375645
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC Nameethane;5-methyl-2,3-dihydro-1-benzofuran-6-amine
SMILESCC.Cc1cc2c(cc1N)OCC2
InChIInChI=1S/C9H11NO.C2H6/c1-6-4-7-2-3-11-9(7)5-8(6)10;1-2/h4-5H,2-3,10H2,1H3;1-2H3
InChIKeyASEKXVIPMFVVLT-UHFFFAOYSA-N
XLogP2.54
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.26
LogP ≤ 52.54
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

ethane;7-methyl-2,3-dihydro-1,4-benzodioxin-6-amine
CID 145173589
5-methyl-6-phenyl-2,3-dihydro-1-benzofuran
CID 12878338
5-butyl-6-methyl-2,3-dihydro-1-benzofuran;ethane
CID 159893574
3-methyl-5,6,7,8-tetrahydronaphthalen-2-amine
CID 12835985
5-methyl-2,3-dihydro-1-benzofuran
CID 12725190
2-(2,3-dihydro-1-benzofuran-5-yl)-5-methylaniline
CID 82766457
2-(6-methyl-2,3-dihydro-1-benzofuran-5-yl)acetic acid
CID 19098396
ethane;5-methyl-2,3-dihydro-1-benzofuran;propane
CID 145162253
ethane;6-methyl-5-(2-methylpentan-2-yl)-2,3-dihydro-1-benzofuran
CID 158202608
6-methyl-2,3,5,6,7,8-hexahydrobenzo[f][1]benzofuran-7-amine
CID 19845341
4-(2,3-dihydro-1-benzofuran-5-yl)-2-ethylaniline
CID 81287575
6-methyl-4-propyl-2,3-dihydro-1,4-benzoxazin-7-amine
CID 134530161

Frequently Asked Questions

What is the IUPAC name of ethane;5-methyl-2,3-dihydro-1-benzofuran-6-amine?
The IUPAC name of ethane;5-methyl-2,3-dihydro-1-benzofuran-6-amine (CID 145375645) is ethane;5-methyl-2,3-dihydro-1-benzofuran-6-amine.
What is the SMILES notation for ethane;5-methyl-2,3-dihydro-1-benzofuran-6-amine?
The canonical SMILES for ethane;5-methyl-2,3-dihydro-1-benzofuran-6-amine is CC.Cc1cc2c(cc1N)OCC2.
What is the InChIKey of ethane;5-methyl-2,3-dihydro-1-benzofuran-6-amine?
The InChIKey is ASEKXVIPMFVVLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO.C2H6/c1-6-4-7-2-3-11-9(7)5-8(6)10;1-2/h4-5H,2-3,10H2,1H3;1-2H3.
What are the key properties of ethane;5-methyl-2,3-dihydro-1-benzofuran-6-amine?
ethane;5-methyl-2,3-dihydro-1-benzofuran-6-amine has a molecular weight of 179.26 g/mol, XLogP of 2.54, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;5-methyl-2,3-dihydro-1-benzofuran-6-amine is sourced from PubChem (CID 145375645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).