1-(4-bromo-2,5-dimethoxyphenyl)-1-(5-ethylfuran-2-yl)-N-methylmethanamine

C16H20BrNO3 — CID 105056762

IUPAC1-(4-bromo-2,5-dimethoxyphenyl)-1-(5-ethylfuran-2-yl)-N-methylmethanamine
SMILESCCc1ccc(C(NC)c2cc(OC)c(Br)cc2OC)o1
InChIInChI=1S/C16H20BrNO3/c1-5-10-6-7-13(21-10)16(18-2)11-8-15(20-4)12(17)9-14(11)19-3/h6-9,16,18H,5H2,1-4H3
InChIKeyVAKGFMVGQADGBQ-UHFFFAOYSA-N
MW354.24 g/mol
LogP3.93
Rot. Bonds6

About 1-(4-bromo-2,5-dimethoxyphenyl)-1-(5-ethylfuran-2-yl)-N-methylmethanamine

1-(4-bromo-2,5-dimethoxyphenyl)-1-(5-ethylfuran-2-yl)-N-methylmethanamine (PubChem CID 105056762) has the molecular formula C16H20BrNO3 and a molecular weight of 354.24 g/mol. Its IUPAC name is 1-(4-bromo-2,5-dimethoxyphenyl)-1-(5-ethylfuran-2-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(4-bromo-2,5-dimethoxyphenyl)-1-(5-ethylfuran-2-yl)-N-methylmethanamine
PubChem CID105056762
Molecular FormulaC16H20BrNO3
Molecular Weight354.24 g/mol
Exact Mass353.06
IUPAC Name1-(4-bromo-2,5-dimethoxyphenyl)-1-(5-ethylfuran-2-yl)-N-methylmethanamine
SMILESCCc1ccc(C(NC)c2cc(OC)c(Br)cc2OC)o1
InChIInChI=1S/C16H20BrNO3/c1-5-10-6-7-13(21-10)16(18-2)11-8-15(20-4)12(17)9-14(11)19-3/h6-9,16,18H,5H2,1-4H3
InChIKeyVAKGFMVGQADGBQ-UHFFFAOYSA-N
XLogP3.93
TPSA43.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.24
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-chloro-2-methoxyphenyl)-1-(5-ethylfuran-2-yl)-N-methylmethanamine
CID 62346399
1-(2-bromofuran-3-yl)-1-(5-ethylfuran-2-yl)-N-methylmethanamine
CID 106851788
1-(5-ethylfuran-2-yl)-1-(4-methoxy-3-methylphenyl)-N-methylmethanamine
CID 79095977
(5-bromo-2-methoxy-4-methylphenyl)-(5-ethylfuran-2-yl)methanol
CID 79084452
1-(5-bromo-4-fluoro-2-methoxyphenyl)-1-(5-bromofuran-2-yl)-N-methylmethanamine
CID 103394584
1-(5-bromothiophen-3-yl)-1-(5-ethylfuran-2-yl)-N-methylmethanamine
CID 107960959
1-(3,4-dimethylphenyl)-1-(5-ethylfuran-2-yl)-N-methylmethanamine
CID 62346046
1-(5-ethylfuran-2-yl)-1-(5-fluoro-2-methylphenyl)-N-methylmethanamine
CID 63048430
1-(4-chloro-2,5-dimethylphenyl)-1-(5-ethylfuran-2-yl)-N-methylmethanamine
CID 79094310
1-(4-bromo-2,5-dimethoxyphenyl)-N-methyl-2-propylpentan-1-amine
CID 105056755
1-(4-bromo-2,5-dimethoxyphenyl)-1-(5-bromo-4-methylthiophen-2-yl)-N-methylmethanamine
CID 105056785
1-(5-ethylfuran-2-yl)-N-methyl-1-thiophen-3-ylmethanamine
CID 62345338

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2,5-dimethoxyphenyl)-1-(5-ethylfuran-2-yl)-N-methylmethanamine?
The IUPAC name of 1-(4-bromo-2,5-dimethoxyphenyl)-1-(5-ethylfuran-2-yl)-N-methylmethanamine (CID 105056762) is 1-(4-bromo-2,5-dimethoxyphenyl)-1-(5-ethylfuran-2-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(4-bromo-2,5-dimethoxyphenyl)-1-(5-ethylfuran-2-yl)-N-methylmethanamine?
The canonical SMILES for 1-(4-bromo-2,5-dimethoxyphenyl)-1-(5-ethylfuran-2-yl)-N-methylmethanamine is CCc1ccc(C(NC)c2cc(OC)c(Br)cc2OC)o1.
What is the InChIKey of 1-(4-bromo-2,5-dimethoxyphenyl)-1-(5-ethylfuran-2-yl)-N-methylmethanamine?
The InChIKey is VAKGFMVGQADGBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20BrNO3/c1-5-10-6-7-13(21-10)16(18-2)11-8-15(20-4)12(17)9-14(11)19-3/h6-9,16,18H,5H2,1-4H3.
What are the key properties of 1-(4-bromo-2,5-dimethoxyphenyl)-1-(5-ethylfuran-2-yl)-N-methylmethanamine?
1-(4-bromo-2,5-dimethoxyphenyl)-1-(5-ethylfuran-2-yl)-N-methylmethanamine has a molecular weight of 354.24 g/mol, XLogP of 3.93, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2,5-dimethoxyphenyl)-1-(5-ethylfuran-2-yl)-N-methylmethanamine is sourced from PubChem (CID 105056762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).