2-(3-bromothiophen-2-yl)-1-(5-methylthiophen-2-yl)ethanamine

C11H12BrNS2 — CID 115849210

IUPAC2-(3-bromothiophen-2-yl)-1-(5-methylthiophen-2-yl)ethanamine
SMILESCc1ccc(C(N)Cc2sccc2Br)s1
InChIInChI=1S/C11H12BrNS2/c1-7-2-3-10(15-7)9(13)6-11-8(12)4-5-14-11/h2-5,9H,6,13H2,1H3
InChIKeyOTLSMMOGRIGCDJ-UHFFFAOYSA-N
MW302.26 g/mol
LogP4.12
Rot. Bonds3

About 2-(3-bromothiophen-2-yl)-1-(5-methylthiophen-2-yl)ethanamine

2-(3-bromothiophen-2-yl)-1-(5-methylthiophen-2-yl)ethanamine (PubChem CID 115849210) has the molecular formula C11H12BrNS2 and a molecular weight of 302.26 g/mol. Its IUPAC name is 2-(3-bromothiophen-2-yl)-1-(5-methylthiophen-2-yl)ethanamine.

Molecular Properties

Compound Name2-(3-bromothiophen-2-yl)-1-(5-methylthiophen-2-yl)ethanamine
PubChem CID115849210
Molecular FormulaC11H12BrNS2
Molecular Weight302.26 g/mol
Exact Mass300.96
IUPAC Name2-(3-bromothiophen-2-yl)-1-(5-methylthiophen-2-yl)ethanamine
SMILESCc1ccc(C(N)Cc2sccc2Br)s1
InChIInChI=1S/C11H12BrNS2/c1-7-2-3-10(15-7)9(13)6-11-8(12)4-5-14-11/h2-5,9H,6,13H2,1H3
InChIKeyOTLSMMOGRIGCDJ-UHFFFAOYSA-N
XLogP4.12
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.26
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-bromothiophen-2-yl)-1-(4,5-dimethylthiophen-2-yl)ethanamine
CID 115849148
1-(3-bromo-4-methylphenyl)-2-(3-bromothiophen-2-yl)ethanamine
CID 115848987
2-(3-bromothiophen-2-yl)-1-(3,4-dimethylphenyl)ethanamine
CID 115848840
2-(3-bromothiophen-2-yl)-1-(3-methylfuran-2-yl)ethanamine
CID 104804618
2-(3-bromothiophen-2-yl)-1-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)ethanamine
CID 115849224
2-(3-bromothiophen-2-yl)-1-(3,5-dibromophenyl)ethanamine
CID 107974648
2-(3-bromothiophen-2-yl)-1-(2,5-dibromothiophen-3-yl)ethanamine
CID 107968208
2-(3-bromothiophen-2-yl)-1-(3,6-dimethylpyridazin-4-yl)ethanamine
CID 105139558
2-amino-2-(5-methylthiophen-2-yl)ethanol
CID 56828532
2-(4-iodophenyl)-1-(5-methylthiophen-2-yl)ethanamine
CID 115864382
2-(4-bromo-2-chlorophenyl)-1-(5-methylthiophen-2-yl)ethanamine
CID 105038016
2-(3-bromothiophen-2-yl)-1-(1-methylpyrazol-4-yl)ethanamine
CID 65195436

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromothiophen-2-yl)-1-(5-methylthiophen-2-yl)ethanamine?
The IUPAC name of 2-(3-bromothiophen-2-yl)-1-(5-methylthiophen-2-yl)ethanamine (CID 115849210) is 2-(3-bromothiophen-2-yl)-1-(5-methylthiophen-2-yl)ethanamine.
What is the SMILES notation for 2-(3-bromothiophen-2-yl)-1-(5-methylthiophen-2-yl)ethanamine?
The canonical SMILES for 2-(3-bromothiophen-2-yl)-1-(5-methylthiophen-2-yl)ethanamine is Cc1ccc(C(N)Cc2sccc2Br)s1.
What is the InChIKey of 2-(3-bromothiophen-2-yl)-1-(5-methylthiophen-2-yl)ethanamine?
The InChIKey is OTLSMMOGRIGCDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrNS2/c1-7-2-3-10(15-7)9(13)6-11-8(12)4-5-14-11/h2-5,9H,6,13H2,1H3.
What are the key properties of 2-(3-bromothiophen-2-yl)-1-(5-methylthiophen-2-yl)ethanamine?
2-(3-bromothiophen-2-yl)-1-(5-methylthiophen-2-yl)ethanamine has a molecular weight of 302.26 g/mol, XLogP of 4.12, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromothiophen-2-yl)-1-(5-methylthiophen-2-yl)ethanamine is sourced from PubChem (CID 115849210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).