2-(3-bromo-4-methoxyphenyl)-1-(3-methylfuran-2-yl)ethanamine

C14H16BrNO2 — CID 104804312

IUPAC2-(3-bromo-4-methoxyphenyl)-1-(3-methylfuran-2-yl)ethanamine
SMILESCOc1ccc(CC(N)c2occc2C)cc1Br
InChIInChI=1S/C14H16BrNO2/c1-9-5-6-18-14(9)12(16)8-10-3-4-13(17-2)11(15)7-10/h3-7,12H,8,16H2,1-2H3
InChIKeyPZBAQLKIHLUDIX-UHFFFAOYSA-N
MW310.19 g/mol
LogP3.60
Rot. Bonds4

About 2-(3-bromo-4-methoxyphenyl)-1-(3-methylfuran-2-yl)ethanamine

2-(3-bromo-4-methoxyphenyl)-1-(3-methylfuran-2-yl)ethanamine (PubChem CID 104804312) has the molecular formula C14H16BrNO2 and a molecular weight of 310.19 g/mol. Its IUPAC name is 2-(3-bromo-4-methoxyphenyl)-1-(3-methylfuran-2-yl)ethanamine.

Molecular Properties

Compound Name2-(3-bromo-4-methoxyphenyl)-1-(3-methylfuran-2-yl)ethanamine
PubChem CID104804312
Molecular FormulaC14H16BrNO2
Molecular Weight310.19 g/mol
Exact Mass309.04
IUPAC Name2-(3-bromo-4-methoxyphenyl)-1-(3-methylfuran-2-yl)ethanamine
SMILESCOc1ccc(CC(N)c2occc2C)cc1Br
InChIInChI=1S/C14H16BrNO2/c1-9-5-6-18-14(9)12(16)8-10-3-4-13(17-2)11(15)7-10/h3-7,12H,8,16H2,1-2H3
InChIKeyPZBAQLKIHLUDIX-UHFFFAOYSA-N
XLogP3.60
TPSA48.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.19
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-bromo-4-methoxyphenyl)-3-(3,4-dimethylphenyl)propan-2-amine
CID 62899973
1-(3-bromo-4-methoxyphenyl)-2-(3,4-dimethylphenyl)ethanamine
CID 62553466
2-(3-bromo-4-methoxyphenyl)-1-(3,5-dibromophenyl)ethanamine
CID 107974001
2-(3-bromo-4-methoxyphenyl)-1-(4,5-dibromothiophen-2-yl)ethanamine
CID 115817818
1-(1-benzofuran-2-yl)-2-(3-bromo-4-methoxyphenyl)ethanamine
CID 63091845
2-(3-bromo-4-methoxyphenyl)-1-(3-chloro-4-methylphenyl)ethanamine
CID 115817898
1-(3-methylfuran-2-yl)-2-naphthalen-2-ylethanamine
CID 61077731
2-(3-bromo-4-methoxyphenyl)-1-thiophen-3-ylethanamine
CID 54971373
2-(2,3-dihydro-1H-inden-5-yl)-1-(3-methylfuran-2-yl)ethanamine
CID 104804281
2-(3-bromo-4-methoxyphenyl)-1-(2,6-dimethyl-3-pyridinyl)ethanamine
CID 105110930
2-(2-bromo-5-fluorophenyl)-1-(3-methylfuran-2-yl)ethanamine
CID 113455206
2-(5-bromo-3-pyridinyl)-1-(3-methylfuran-2-yl)ethanamine
CID 104804107

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-4-methoxyphenyl)-1-(3-methylfuran-2-yl)ethanamine?
The IUPAC name of 2-(3-bromo-4-methoxyphenyl)-1-(3-methylfuran-2-yl)ethanamine (CID 104804312) is 2-(3-bromo-4-methoxyphenyl)-1-(3-methylfuran-2-yl)ethanamine.
What is the SMILES notation for 2-(3-bromo-4-methoxyphenyl)-1-(3-methylfuran-2-yl)ethanamine?
The canonical SMILES for 2-(3-bromo-4-methoxyphenyl)-1-(3-methylfuran-2-yl)ethanamine is COc1ccc(CC(N)c2occc2C)cc1Br.
What is the InChIKey of 2-(3-bromo-4-methoxyphenyl)-1-(3-methylfuran-2-yl)ethanamine?
The InChIKey is PZBAQLKIHLUDIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrNO2/c1-9-5-6-18-14(9)12(16)8-10-3-4-13(17-2)11(15)7-10/h3-7,12H,8,16H2,1-2H3.
What are the key properties of 2-(3-bromo-4-methoxyphenyl)-1-(3-methylfuran-2-yl)ethanamine?
2-(3-bromo-4-methoxyphenyl)-1-(3-methylfuran-2-yl)ethanamine has a molecular weight of 310.19 g/mol, XLogP of 3.60, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-4-methoxyphenyl)-1-(3-methylfuran-2-yl)ethanamine is sourced from PubChem (CID 104804312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).