(5-ethyl-7-methoxy-3-methyl-1-benzofuran-2-yl)methanamine

C13H17NO2 — CID 107669955

IUPAC(5-ethyl-7-methoxy-3-methyl-1-benzofuran-2-yl)methanamine
SMILESCCc1cc(OC)c2oc(CN)c(C)c2c1
InChIInChI=1S/C13H17NO2/c1-4-9-5-10-8(2)12(7-14)16-13(10)11(6-9)15-3/h5-6H,4,7,14H2,1-3H3
InChIKeyNAOZARURROULRZ-UHFFFAOYSA-N
MW219.28 g/mol
LogP2.77
Rot. Bonds3

About (5-ethyl-7-methoxy-3-methyl-1-benzofuran-2-yl)methanamine

(5-ethyl-7-methoxy-3-methyl-1-benzofuran-2-yl)methanamine (PubChem CID 107669955) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is (5-ethyl-7-methoxy-3-methyl-1-benzofuran-2-yl)methanamine.

Molecular Properties

Compound Name(5-ethyl-7-methoxy-3-methyl-1-benzofuran-2-yl)methanamine
PubChem CID107669955
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Name(5-ethyl-7-methoxy-3-methyl-1-benzofuran-2-yl)methanamine
SMILESCCc1cc(OC)c2oc(CN)c(C)c2c1
InChIInChI=1S/C13H17NO2/c1-4-9-5-10-8(2)12(7-14)16-13(10)11(6-9)15-3/h5-6H,4,7,14H2,1-3H3
InChIKeyNAOZARURROULRZ-UHFFFAOYSA-N
XLogP2.77
TPSA48.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3-tert-butyl-5-ethyl-7-methoxy-1-benzofuran-2-yl)methanamine
CID 107669974
[5-ethyl-7-methoxy-3-(2-methylpropyl)-1-benzofuran-2-yl]methanamine
CID 107669939
N-[(3-tert-butyl-5-ethyl-7-methoxy-1-benzofuran-2-yl)methyl]ethanamine
CID 107669960
1-(7-methoxy-3,5-dimethyl-1-benzofuran-2-yl)-N-methylmethanamine
CID 81035438
(4,7-dibromo-5-methoxy-3-methyl-1-benzofuran-2-yl)methanamine
CID 81047451
4-ethyl-2-methoxy-6-methylaniline
CID 131487767
(4-bromo-7-methoxy-2-methyl-1-benzofuran-5-yl)methanamine
CID 117428277
N-[(5-ethyl-7-methoxy-1-benzofuran-3-yl)methyl]-2-methoxyethanamine
CID 107669334
7-methoxy-5-methyl-2-(2-methylpropyl)-1-benzofuran-3-amine
CID 82372675
(7-bromo-3-methyl-1-benzofuran-2-yl)methanamine
CID 81049217
(6,7-dichloro-3-methyl-1-benzofuran-2-yl)methanamine
CID 81049172
[3,5-dimethoxy-4-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]methanamine
CID 60887910

Frequently Asked Questions

What is the IUPAC name of (5-ethyl-7-methoxy-3-methyl-1-benzofuran-2-yl)methanamine?
The IUPAC name of (5-ethyl-7-methoxy-3-methyl-1-benzofuran-2-yl)methanamine (CID 107669955) is (5-ethyl-7-methoxy-3-methyl-1-benzofuran-2-yl)methanamine.
What is the SMILES notation for (5-ethyl-7-methoxy-3-methyl-1-benzofuran-2-yl)methanamine?
The canonical SMILES for (5-ethyl-7-methoxy-3-methyl-1-benzofuran-2-yl)methanamine is CCc1cc(OC)c2oc(CN)c(C)c2c1.
What is the InChIKey of (5-ethyl-7-methoxy-3-methyl-1-benzofuran-2-yl)methanamine?
The InChIKey is NAOZARURROULRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2/c1-4-9-5-10-8(2)12(7-14)16-13(10)11(6-9)15-3/h5-6H,4,7,14H2,1-3H3.
What are the key properties of (5-ethyl-7-methoxy-3-methyl-1-benzofuran-2-yl)methanamine?
(5-ethyl-7-methoxy-3-methyl-1-benzofuran-2-yl)methanamine has a molecular weight of 219.28 g/mol, XLogP of 2.77, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-ethyl-7-methoxy-3-methyl-1-benzofuran-2-yl)methanamine is sourced from PubChem (CID 107669955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).