1-(5-bromo-4-methylthiophen-2-yl)-2-(2-methoxyphenyl)ethanamine

C14H16BrNOS — CID 79990281

IUPAC1-(5-bromo-4-methylthiophen-2-yl)-2-(2-methoxyphenyl)ethanamine
SMILESCOc1ccccc1CC(N)c1cc(C)c(Br)s1
InChIInChI=1S/C14H16BrNOS/c1-9-7-13(18-14(9)15)11(16)8-10-5-3-4-6-12(10)17-2/h3-7,11H,8,16H2,1-2H3
InChIKeyVMKTZLWDRLQYKR-UHFFFAOYSA-N
MW326.26 g/mol
LogP4.07
Rot. Bonds4

About 1-(5-bromo-4-methylthiophen-2-yl)-2-(2-methoxyphenyl)ethanamine

1-(5-bromo-4-methylthiophen-2-yl)-2-(2-methoxyphenyl)ethanamine (PubChem CID 79990281) has the molecular formula C14H16BrNOS and a molecular weight of 326.26 g/mol. Its IUPAC name is 1-(5-bromo-4-methylthiophen-2-yl)-2-(2-methoxyphenyl)ethanamine.

Molecular Properties

Compound Name1-(5-bromo-4-methylthiophen-2-yl)-2-(2-methoxyphenyl)ethanamine
PubChem CID79990281
Molecular FormulaC14H16BrNOS
Molecular Weight326.26 g/mol
Exact Mass325.01
IUPAC Name1-(5-bromo-4-methylthiophen-2-yl)-2-(2-methoxyphenyl)ethanamine
SMILESCOc1ccccc1CC(N)c1cc(C)c(Br)s1
InChIInChI=1S/C14H16BrNOS/c1-9-7-13(18-14(9)15)11(16)8-10-5-3-4-6-12(10)17-2/h3-7,11H,8,16H2,1-2H3
InChIKeyVMKTZLWDRLQYKR-UHFFFAOYSA-N
XLogP4.07
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.26
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4,5-dimethylthiophen-2-yl)-2-(2-methoxy-5-methylphenyl)ethanamine
CID 115826649
(1R)-1,2-bis(2-methoxyphenyl)ethanamine
CID 40618713
(1S)-1,2-bis(2-methoxyphenyl)ethanamine
CID 36689288
2-bromo-5-[1-bromo-2-(2-methylphenyl)ethyl]-3-methylthiophene
CID 79996862
2-(2-methoxyphenyl)-1-(4-methylthiophen-3-yl)ethanamine
CID 79802123
3-bromo-2-[1-bromo-2-(2-methoxyphenyl)ethyl]-5-methylthiophene
CID 65278769
1-(4-fluoro-3-methylphenyl)-2-(2-methoxyphenyl)ethanamine
CID 55137062
2-chloro-5-[1-chloro-2-(2-methoxyphenyl)ethyl]-3-methylthiophene
CID 102764766
1-(3-fluoro-4-methylphenyl)-2-(2-methoxyphenyl)ethanamine
CID 61078516
1-(2,4-difluoro-5-methylphenyl)-2-(2-methoxyphenyl)ethanamine
CID 79724225
1-(5-bromo-4-methylthiophen-2-yl)-4-methoxybutan-1-amine
CID 105055102
1-(4-bromo-2-chlorophenyl)-2-(2-methoxyphenyl)ethanamine
CID 61079999

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-4-methylthiophen-2-yl)-2-(2-methoxyphenyl)ethanamine?
The IUPAC name of 1-(5-bromo-4-methylthiophen-2-yl)-2-(2-methoxyphenyl)ethanamine (CID 79990281) is 1-(5-bromo-4-methylthiophen-2-yl)-2-(2-methoxyphenyl)ethanamine.
What is the SMILES notation for 1-(5-bromo-4-methylthiophen-2-yl)-2-(2-methoxyphenyl)ethanamine?
The canonical SMILES for 1-(5-bromo-4-methylthiophen-2-yl)-2-(2-methoxyphenyl)ethanamine is COc1ccccc1CC(N)c1cc(C)c(Br)s1.
What is the InChIKey of 1-(5-bromo-4-methylthiophen-2-yl)-2-(2-methoxyphenyl)ethanamine?
The InChIKey is VMKTZLWDRLQYKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrNOS/c1-9-7-13(18-14(9)15)11(16)8-10-5-3-4-6-12(10)17-2/h3-7,11H,8,16H2,1-2H3.
What are the key properties of 1-(5-bromo-4-methylthiophen-2-yl)-2-(2-methoxyphenyl)ethanamine?
1-(5-bromo-4-methylthiophen-2-yl)-2-(2-methoxyphenyl)ethanamine has a molecular weight of 326.26 g/mol, XLogP of 4.07, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-4-methylthiophen-2-yl)-2-(2-methoxyphenyl)ethanamine is sourced from PubChem (CID 79990281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).