1-(3-bromo-4-ethoxyphenyl)-N-methyl-1-(3-methylfuran-2-yl)methanamine

C15H18BrNO2 — CID 104657492

IUPAC1-(3-bromo-4-ethoxyphenyl)-N-methyl-1-(3-methylfuran-2-yl)methanamine
SMILESCCOc1ccc(C(NC)c2occc2C)cc1Br
InChIInChI=1S/C15H18BrNO2/c1-4-18-13-6-5-11(9-12(13)16)14(17-3)15-10(2)7-8-19-15/h5-9,14,17H,4H2,1-3H3
InChIKeyFYJOHOIZUBQTRW-UHFFFAOYSA-N
MW324.22 g/mol
LogP4.06
Rot. Bonds5

About 1-(3-bromo-4-ethoxyphenyl)-N-methyl-1-(3-methylfuran-2-yl)methanamine

1-(3-bromo-4-ethoxyphenyl)-N-methyl-1-(3-methylfuran-2-yl)methanamine (PubChem CID 104657492) has the molecular formula C15H18BrNO2 and a molecular weight of 324.22 g/mol. Its IUPAC name is 1-(3-bromo-4-ethoxyphenyl)-N-methyl-1-(3-methylfuran-2-yl)methanamine.

Molecular Properties

Compound Name1-(3-bromo-4-ethoxyphenyl)-N-methyl-1-(3-methylfuran-2-yl)methanamine
PubChem CID104657492
Molecular FormulaC15H18BrNO2
Molecular Weight324.22 g/mol
Exact Mass323.05
IUPAC Name1-(3-bromo-4-ethoxyphenyl)-N-methyl-1-(3-methylfuran-2-yl)methanamine
SMILESCCOc1ccc(C(NC)c2occc2C)cc1Br
InChIInChI=1S/C15H18BrNO2/c1-4-18-13-6-5-11(9-12(13)16)14(17-3)15-10(2)7-8-19-15/h5-9,14,17H,4H2,1-3H3
InChIKeyFYJOHOIZUBQTRW-UHFFFAOYSA-N
XLogP4.06
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.22
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,4-diethoxyphenyl)-N-methyl-1-(3-methylfuran-2-yl)methanamine
CID 43483704
1-(4-bromophenyl)-N-methyl-1-(3-methylfuran-2-yl)methanamine
CID 43481001
1-(3-bromo-4-ethoxyphenyl)-1-(3,5-dibromophenyl)-N-methylmethanamine
CID 107979922
1-(3-bromo-4-ethoxyphenyl)-1-(5-bromo-4-methylthiophen-2-yl)-N-methylmethanamine
CID 104657467
1-(3-bromo-4-ethoxyphenyl)-N-methyl-1-(3-methylthiophen-2-yl)methanamine
CID 104657472
1-(3-bromo-4-ethoxyphenyl)-1-(4-bromo-3-fluorophenyl)-N-methylmethanamine
CID 104657518
1-(3,4-dimethylphenyl)-N-methyl-1-(3-methylfuran-2-yl)methanamine
CID 43480129
N-[(3-bromo-4-ethoxyphenyl)-(2-methylfuran-3-yl)methyl]propan-1-amine
CID 104657714
1-(3-bromo-4-ethoxyphenyl)-1-(4-chloro-2-fluorophenyl)-N-methylmethanamine
CID 104657460
1-(3-bromo-4-ethoxyphenyl)-1-(2,5-dichlorothiophen-3-yl)-N-methylmethanamine
CID 107961340
1-(3-bromo-4-fluorophenyl)-1-(2-ethoxy-5-methylphenyl)-N-methylmethanamine
CID 107950559
1-(4-bromo-3-methylphenyl)-1-(2-ethoxyphenyl)-N-methylmethanamine
CID 115853693

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-4-ethoxyphenyl)-N-methyl-1-(3-methylfuran-2-yl)methanamine?
The IUPAC name of 1-(3-bromo-4-ethoxyphenyl)-N-methyl-1-(3-methylfuran-2-yl)methanamine (CID 104657492) is 1-(3-bromo-4-ethoxyphenyl)-N-methyl-1-(3-methylfuran-2-yl)methanamine.
What is the SMILES notation for 1-(3-bromo-4-ethoxyphenyl)-N-methyl-1-(3-methylfuran-2-yl)methanamine?
The canonical SMILES for 1-(3-bromo-4-ethoxyphenyl)-N-methyl-1-(3-methylfuran-2-yl)methanamine is CCOc1ccc(C(NC)c2occc2C)cc1Br.
What is the InChIKey of 1-(3-bromo-4-ethoxyphenyl)-N-methyl-1-(3-methylfuran-2-yl)methanamine?
The InChIKey is FYJOHOIZUBQTRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrNO2/c1-4-18-13-6-5-11(9-12(13)16)14(17-3)15-10(2)7-8-19-15/h5-9,14,17H,4H2,1-3H3.
What are the key properties of 1-(3-bromo-4-ethoxyphenyl)-N-methyl-1-(3-methylfuran-2-yl)methanamine?
1-(3-bromo-4-ethoxyphenyl)-N-methyl-1-(3-methylfuran-2-yl)methanamine has a molecular weight of 324.22 g/mol, XLogP of 4.06, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-4-ethoxyphenyl)-N-methyl-1-(3-methylfuran-2-yl)methanamine is sourced from PubChem (CID 104657492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).