2-(4,6-dimethyl-1-benzofuran-5-yl)ethanamine

C12H15NO — CID 82374483

IUPAC2-(4,6-dimethyl-1-benzofuran-5-yl)ethanamine
SMILESCc1cc2occc2c(C)c1CCN
InChIInChI=1S/C12H15NO/c1-8-7-12-11(4-6-14-12)9(2)10(8)3-5-13/h4,6-7H,3,5,13H2,1-2H3
InChIKeyWESIGXDZDOYNND-UHFFFAOYSA-N
MW189.26 g/mol
LogP2.55
Rot. Bonds2

About 2-(4,6-dimethyl-1-benzofuran-5-yl)ethanamine

2-(4,6-dimethyl-1-benzofuran-5-yl)ethanamine (PubChem CID 82374483) has the molecular formula C12H15NO and a molecular weight of 189.26 g/mol. Its IUPAC name is 2-(4,6-dimethyl-1-benzofuran-5-yl)ethanamine.

Molecular Properties

Compound Name2-(4,6-dimethyl-1-benzofuran-5-yl)ethanamine
PubChem CID82374483
Molecular FormulaC12H15NO
Molecular Weight189.26 g/mol
Exact Mass189.12
IUPAC Name2-(4,6-dimethyl-1-benzofuran-5-yl)ethanamine
SMILESCc1cc2occc2c(C)c1CCN
InChIInChI=1S/C12H15NO/c1-8-7-12-11(4-6-14-12)9(2)10(8)3-5-13/h4,6-7H,3,5,13H2,1-2H3
InChIKeyWESIGXDZDOYNND-UHFFFAOYSA-N
XLogP2.55
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(6,7-dihydrofuro[2,3-f][1]benzofuran-4-yl)ethanamine
CID 169028900
4-methylfuro[3,2-e][1]benzofuran
CID 170151915
4-(aminomethyl)-5-methyl-1-benzofuran-7-amine
CID 166848897
3-(2-aminoethyl)-7-methoxy-4-methylchromen-2-one
CID 129053570
2-(4-methoxyfuro[2,3-f][1]benzofuran-8-yl)ethanamine
CID 117333887
2-(4-fluoro-2,6-dimethylphenyl)ethanamine
CID 55253918
6-fluoro-4-methyl-1-benzofuran
CID 66806743
4,7-dimethyl-1-benzofuran-5-amine
CID 45122665
4,5-dimethylfuro[3,2-g]chromen-7-one
CID 22367452
2-(5-bromo-4,6-dimethyl-1-benzofuran-3-yl)ethanamine
CID 107727451
tert-butyl N-[2-(6-methoxy-4-methyl-1-benzofuran-5-yl)ethyl]carbamate
CID 142472796
N,N-diethyl-4-methyl-1-benzofuran-6-amine
CID 154131282

Frequently Asked Questions

What is the IUPAC name of 2-(4,6-dimethyl-1-benzofuran-5-yl)ethanamine?
The IUPAC name of 2-(4,6-dimethyl-1-benzofuran-5-yl)ethanamine (CID 82374483) is 2-(4,6-dimethyl-1-benzofuran-5-yl)ethanamine.
What is the SMILES notation for 2-(4,6-dimethyl-1-benzofuran-5-yl)ethanamine?
The canonical SMILES for 2-(4,6-dimethyl-1-benzofuran-5-yl)ethanamine is Cc1cc2occc2c(C)c1CCN.
What is the InChIKey of 2-(4,6-dimethyl-1-benzofuran-5-yl)ethanamine?
The InChIKey is WESIGXDZDOYNND-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO/c1-8-7-12-11(4-6-14-12)9(2)10(8)3-5-13/h4,6-7H,3,5,13H2,1-2H3.
What are the key properties of 2-(4,6-dimethyl-1-benzofuran-5-yl)ethanamine?
2-(4,6-dimethyl-1-benzofuran-5-yl)ethanamine has a molecular weight of 189.26 g/mol, XLogP of 2.55, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,6-dimethyl-1-benzofuran-5-yl)ethanamine is sourced from PubChem (CID 82374483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).