1-(5-benzyl-3-ethyl-1-benzofuran-2-yl)-N-methylmethanamine

C19H21NO — CID 104843134

IUPAC1-(5-benzyl-3-ethyl-1-benzofuran-2-yl)-N-methylmethanamine
SMILESCCc1c(CNC)oc2ccc(Cc3ccccc3)cc12
InChIInChI=1S/C19H21NO/c1-3-16-17-12-15(11-14-7-5-4-6-8-14)9-10-18(17)21-19(16)13-20-2/h4-10,12,20H,3,11,13H2,1-2H3
InChIKeyJXUNBRABMUESRH-UHFFFAOYSA-N
MW279.38 g/mol
LogP4.31
Rot. Bonds5

About 1-(5-benzyl-3-ethyl-1-benzofuran-2-yl)-N-methylmethanamine

1-(5-benzyl-3-ethyl-1-benzofuran-2-yl)-N-methylmethanamine (PubChem CID 104843134) has the molecular formula C19H21NO and a molecular weight of 279.38 g/mol. Its IUPAC name is 1-(5-benzyl-3-ethyl-1-benzofuran-2-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(5-benzyl-3-ethyl-1-benzofuran-2-yl)-N-methylmethanamine
PubChem CID104843134
Molecular FormulaC19H21NO
Molecular Weight279.38 g/mol
Exact Mass279.16
IUPAC Name1-(5-benzyl-3-ethyl-1-benzofuran-2-yl)-N-methylmethanamine
SMILESCCc1c(CNC)oc2ccc(Cc3ccccc3)cc12
InChIInChI=1S/C19H21NO/c1-3-16-17-12-15(11-14-7-5-4-6-8-14)9-10-18(17)21-19(16)13-20-2/h4-10,12,20H,3,11,13H2,1-2H3
InChIKeyJXUNBRABMUESRH-UHFFFAOYSA-N
XLogP4.31
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-ethyl-5-fluoro-1-benzofuran-2-yl)-N-methylmethanamine
CID 104842839
1-(5-tert-butyl-3-ethyl-1-benzofuran-2-yl)-N-methylmethanamine
CID 113459838
1-(5-ethoxy-3-ethyl-1-benzofuran-2-yl)-N-methylmethanamine
CID 113459832
N-[2-(2-benzyl-5-ethyl-1-benzofuran-3-yl)ethyl]ethanethioamide
CID 22131190
[5-benzyl-3-(methoxymethyl)-1-benzofuran-2-yl]methanamine
CID 114377183
2-benzylxanthene-9-thione
CID 88726523
6-benzyl-2-phenylchromen-4-one
CID 90747479
2-benzyl-6-methyldibenzofuran
CID 155004540
1-(3,7-diethyl-1-benzofuran-2-yl)-N-methylmethanamine
CID 104843083
N-[[2-(methylaminomethyl)-1-benzofuran-3-yl]methyl]-N-propylpropan-1-amine
CID 62438010
1-(3-bromo-1-benzofuran-2-yl)-N-methylmethanamine
CID 84800316
(5-butyl-3-ethyl-1-benzofuran-2-yl)methanamine
CID 115493278

Frequently Asked Questions

What is the IUPAC name of 1-(5-benzyl-3-ethyl-1-benzofuran-2-yl)-N-methylmethanamine?
The IUPAC name of 1-(5-benzyl-3-ethyl-1-benzofuran-2-yl)-N-methylmethanamine (CID 104843134) is 1-(5-benzyl-3-ethyl-1-benzofuran-2-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(5-benzyl-3-ethyl-1-benzofuran-2-yl)-N-methylmethanamine?
The canonical SMILES for 1-(5-benzyl-3-ethyl-1-benzofuran-2-yl)-N-methylmethanamine is CCc1c(CNC)oc2ccc(Cc3ccccc3)cc12.
What is the InChIKey of 1-(5-benzyl-3-ethyl-1-benzofuran-2-yl)-N-methylmethanamine?
The InChIKey is JXUNBRABMUESRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO/c1-3-16-17-12-15(11-14-7-5-4-6-8-14)9-10-18(17)21-19(16)13-20-2/h4-10,12,20H,3,11,13H2,1-2H3.
What are the key properties of 1-(5-benzyl-3-ethyl-1-benzofuran-2-yl)-N-methylmethanamine?
1-(5-benzyl-3-ethyl-1-benzofuran-2-yl)-N-methylmethanamine has a molecular weight of 279.38 g/mol, XLogP of 4.31, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-benzyl-3-ethyl-1-benzofuran-2-yl)-N-methylmethanamine is sourced from PubChem (CID 104843134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).