2-(3-bromothiophen-2-yl)-1-(3,4-dimethylphenyl)ethanamine

C14H16BrNS — CID 115848840

IUPAC2-(3-bromothiophen-2-yl)-1-(3,4-dimethylphenyl)ethanamine
SMILESCc1ccc(C(N)Cc2sccc2Br)cc1C
InChIInChI=1S/C14H16BrNS/c1-9-3-4-11(7-10(9)2)13(16)8-14-12(15)5-6-17-14/h3-7,13H,8,16H2,1-2H3
InChIKeyOSSIXSBLWOWTCV-UHFFFAOYSA-N
MW310.26 g/mol
LogP4.37
Rot. Bonds3

About 2-(3-bromothiophen-2-yl)-1-(3,4-dimethylphenyl)ethanamine

2-(3-bromothiophen-2-yl)-1-(3,4-dimethylphenyl)ethanamine (PubChem CID 115848840) has the molecular formula C14H16BrNS and a molecular weight of 310.26 g/mol. Its IUPAC name is 2-(3-bromothiophen-2-yl)-1-(3,4-dimethylphenyl)ethanamine.

Molecular Properties

Compound Name2-(3-bromothiophen-2-yl)-1-(3,4-dimethylphenyl)ethanamine
PubChem CID115848840
Molecular FormulaC14H16BrNS
Molecular Weight310.26 g/mol
Exact Mass309.02
IUPAC Name2-(3-bromothiophen-2-yl)-1-(3,4-dimethylphenyl)ethanamine
SMILESCc1ccc(C(N)Cc2sccc2Br)cc1C
InChIInChI=1S/C14H16BrNS/c1-9-3-4-11(7-10(9)2)13(16)8-14-12(15)5-6-17-14/h3-7,13H,8,16H2,1-2H3
InChIKeyOSSIXSBLWOWTCV-UHFFFAOYSA-N
XLogP4.37
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.26
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-bromo-4-methylphenyl)-2-(3-bromothiophen-2-yl)ethanamine
CID 115848987
2-(3-bromothiophen-2-yl)-1-(3,5-dibromophenyl)ethanamine
CID 107974648
2-(3-bromothiophen-2-yl)-1-(4,5-dimethylthiophen-2-yl)ethanamine
CID 115849148
2-(3-bromothiophen-2-yl)-1-(4-chloro-3-fluorophenyl)ethanamine
CID 114025057
2-(3-bromothiophen-2-yl)-1-(3-methylfuran-2-yl)ethanamine
CID 104804618
1-(4-bromo-3,5-dimethylphenyl)-2-(3-bromothiophen-2-yl)ethanol
CID 114329930
2-(3-bromothiophen-2-yl)-1-(5-methylthiophen-2-yl)ethanamine
CID 115849210
2-(3-bromothiophen-2-yl)-1-(1-methylpyrazol-4-yl)ethanamine
CID 65195436
2-(3-bromothiophen-2-yl)-1-(3,6-dimethylpyridazin-4-yl)ethanamine
CID 105139558
1-(3,4-dimethylphenyl)-2-thiophen-3-ylethanamine
CID 61079569
1-(5-bromo-2-methylphenyl)-2-(3-bromothiophen-2-yl)ethanol
CID 115790767
2-(3-bromothiophen-2-yl)-1-(2,5-dibromothiophen-3-yl)ethanamine
CID 107968208

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromothiophen-2-yl)-1-(3,4-dimethylphenyl)ethanamine?
The IUPAC name of 2-(3-bromothiophen-2-yl)-1-(3,4-dimethylphenyl)ethanamine (CID 115848840) is 2-(3-bromothiophen-2-yl)-1-(3,4-dimethylphenyl)ethanamine.
What is the SMILES notation for 2-(3-bromothiophen-2-yl)-1-(3,4-dimethylphenyl)ethanamine?
The canonical SMILES for 2-(3-bromothiophen-2-yl)-1-(3,4-dimethylphenyl)ethanamine is Cc1ccc(C(N)Cc2sccc2Br)cc1C.
What is the InChIKey of 2-(3-bromothiophen-2-yl)-1-(3,4-dimethylphenyl)ethanamine?
The InChIKey is OSSIXSBLWOWTCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrNS/c1-9-3-4-11(7-10(9)2)13(16)8-14-12(15)5-6-17-14/h3-7,13H,8,16H2,1-2H3.
What are the key properties of 2-(3-bromothiophen-2-yl)-1-(3,4-dimethylphenyl)ethanamine?
2-(3-bromothiophen-2-yl)-1-(3,4-dimethylphenyl)ethanamine has a molecular weight of 310.26 g/mol, XLogP of 4.37, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromothiophen-2-yl)-1-(3,4-dimethylphenyl)ethanamine is sourced from PubChem (CID 115848840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).