1-(5-bromofuran-2-yl)-N-ethyl-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethanamine

C16H21BrN2O2 — CID 115844039

IUPAC1-(5-bromofuran-2-yl)-N-ethyl-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethanamine
SMILESCCNC(Cc1ncc(C)c(OC)c1C)c1ccc(Br)o1
InChIInChI=1S/C16H21BrN2O2/c1-5-18-13(14-6-7-15(17)21-14)8-12-11(3)16(20-4)10(2)9-19-12/h6-7,9,13,18H,5,8H2,1-4H3
InChIKeyILRCTJSTGRXDSE-UHFFFAOYSA-N
MW353.26 g/mol
LogP3.96
Rot. Bonds6

About 1-(5-bromofuran-2-yl)-N-ethyl-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethanamine

1-(5-bromofuran-2-yl)-N-ethyl-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethanamine (PubChem CID 115844039) has the molecular formula C16H21BrN2O2 and a molecular weight of 353.26 g/mol. Its IUPAC name is 1-(5-bromofuran-2-yl)-N-ethyl-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethanamine.

Molecular Properties

Compound Name1-(5-bromofuran-2-yl)-N-ethyl-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethanamine
PubChem CID115844039
Molecular FormulaC16H21BrN2O2
Molecular Weight353.26 g/mol
Exact Mass352.08
IUPAC Name1-(5-bromofuran-2-yl)-N-ethyl-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethanamine
SMILESCCNC(Cc1ncc(C)c(OC)c1C)c1ccc(Br)o1
InChIInChI=1S/C16H21BrN2O2/c1-5-18-13(14-6-7-15(17)21-14)8-12-11(3)16(20-4)10(2)9-19-12/h6-7,9,13,18H,5,8H2,1-4H3
InChIKeyILRCTJSTGRXDSE-UHFFFAOYSA-N
XLogP3.96
TPSA47.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.26
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(5-bromofuran-2-yl)-N-ethyl-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethanamine with MolForge

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Related Compounds

2-(4-methoxy-3,5-dimethyl-2-pyridinyl)-N-methyl-1-(5-methylfuran-2-yl)ethanamine
CID 115843909
N-ethyl-1-(4-methoxy-3,5-dimethyl-2-pyridinyl)-3-methylsulfanylpropan-2-amine
CID 62691956
N-ethyl-5-methoxy-1-(4-methoxy-3,5-dimethyl-2-pyridinyl)-4-methylpentan-2-amine
CID 105136877
N-ethyl-3-methoxy-1-(4-methoxy-3,5-dimethyl-2-pyridinyl)hexan-2-amine
CID 116719078
N-ethyl-1-(4-methoxy-3,5-dimethyl-2-pyridinyl)octan-2-amine
CID 115843933
1-(5-ethylfuran-2-yl)-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethanol
CID 65149722
1-cyclopentyl-N-ethyl-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethanamine
CID 62601412
[1-(5-bromo-3-pyridinyl)-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethyl]hydrazine
CID 105251270
1-(4,5-dibromothiophen-2-yl)-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)-N-methylethanamine
CID 115844021
2-(4-methoxy-3,5-dimethyl-2-pyridinyl)-N-methyl-1-pyridin-4-ylethanamine
CID 62601677
1-cyclohexyl-N-ethyl-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethanamine
CID 62601994
N-ethyl-1-(4-methoxy-3,5-dimethyl-2-pyridinyl)-3-thiophen-3-ylpropan-2-amine
CID 105136873

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromofuran-2-yl)-N-ethyl-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethanamine?
The IUPAC name of 1-(5-bromofuran-2-yl)-N-ethyl-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethanamine (CID 115844039) is 1-(5-bromofuran-2-yl)-N-ethyl-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethanamine.
What is the SMILES notation for 1-(5-bromofuran-2-yl)-N-ethyl-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethanamine?
The canonical SMILES for 1-(5-bromofuran-2-yl)-N-ethyl-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethanamine is CCNC(Cc1ncc(C)c(OC)c1C)c1ccc(Br)o1.
What is the InChIKey of 1-(5-bromofuran-2-yl)-N-ethyl-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethanamine?
The InChIKey is ILRCTJSTGRXDSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21BrN2O2/c1-5-18-13(14-6-7-15(17)21-14)8-12-11(3)16(20-4)10(2)9-19-12/h6-7,9,13,18H,5,8H2,1-4H3.
What are the key properties of 1-(5-bromofuran-2-yl)-N-ethyl-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethanamine?
1-(5-bromofuran-2-yl)-N-ethyl-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethanamine has a molecular weight of 353.26 g/mol, XLogP of 3.96, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromofuran-2-yl)-N-ethyl-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethanamine is sourced from PubChem (CID 115844039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).