(4-bromothiophen-3-yl)-(4,5-dimethylthiophen-2-yl)methanamine

C11H12BrNS2 — CID 105010852

IUPAC(4-bromothiophen-3-yl)-(4,5-dimethylthiophen-2-yl)methanamine
SMILESCc1cc(C(N)c2cscc2Br)sc1C
InChIInChI=1S/C11H12BrNS2/c1-6-3-10(15-7(6)2)11(13)8-4-14-5-9(8)12/h3-5,11H,13H2,1-2H3
InChIKeyUJQINDCUPGUMSW-UHFFFAOYSA-N
MW302.26 g/mol
LogP4.24
Rot. Bonds2

About (4-bromothiophen-3-yl)-(4,5-dimethylthiophen-2-yl)methanamine

(4-bromothiophen-3-yl)-(4,5-dimethylthiophen-2-yl)methanamine (PubChem CID 105010852) has the molecular formula C11H12BrNS2 and a molecular weight of 302.26 g/mol. Its IUPAC name is (4-bromothiophen-3-yl)-(4,5-dimethylthiophen-2-yl)methanamine.

Molecular Properties

Compound Name(4-bromothiophen-3-yl)-(4,5-dimethylthiophen-2-yl)methanamine
PubChem CID105010852
Molecular FormulaC11H12BrNS2
Molecular Weight302.26 g/mol
Exact Mass300.96
IUPAC Name(4-bromothiophen-3-yl)-(4,5-dimethylthiophen-2-yl)methanamine
SMILESCc1cc(C(N)c2cscc2Br)sc1C
InChIInChI=1S/C11H12BrNS2/c1-6-3-10(15-7(6)2)11(13)8-4-14-5-9(8)12/h3-5,11H,13H2,1-2H3
InChIKeyUJQINDCUPGUMSW-UHFFFAOYSA-N
XLogP4.24
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.26
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (4-bromothiophen-3-yl)-(4,5-dimethylthiophen-2-yl)methanamine with MolForge

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Related Compounds

(4-bromothiophen-3-yl)-(4,5-dimethylthiophen-2-yl)methanol
CID 115820072
(4-bromothiophen-3-yl)-(4,5-dibromothiophen-2-yl)methanamine
CID 105010511
(4-bromothiophen-3-yl)-(2-methylphenyl)methanamine
CID 79596069
(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-(4,5-dimethylthiophen-2-yl)methanamine
CID 65237078
(3-bromo-5-methylthiophen-2-yl)-(4,5-dimethylthiophen-2-yl)methanamine
CID 65279274
(5-bromo-4-chlorothiophen-2-yl)-(4-methylthiophen-3-yl)methanamine
CID 80530952
(5-bromo-2-fluorophenyl)-(4,5-dimethylthiophen-2-yl)methanamine
CID 105011918
(4-bromothiophen-3-yl)-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)methanamine
CID 105010507
(4-bromothiophen-3-yl)-(5-methylthiophen-3-yl)methanamine
CID 130993276
(4-bromothiophen-3-yl)-(4-methylphenyl)methanamine
CID 79594983
(4-bromothiophen-3-yl)-(3-methylfuran-2-yl)methanamine
CID 104804459
(4-bromothiophen-3-yl)-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)methanamine
CID 105010695

Frequently Asked Questions

What is the IUPAC name of (4-bromothiophen-3-yl)-(4,5-dimethylthiophen-2-yl)methanamine?
The IUPAC name of (4-bromothiophen-3-yl)-(4,5-dimethylthiophen-2-yl)methanamine (CID 105010852) is (4-bromothiophen-3-yl)-(4,5-dimethylthiophen-2-yl)methanamine.
What is the SMILES notation for (4-bromothiophen-3-yl)-(4,5-dimethylthiophen-2-yl)methanamine?
The canonical SMILES for (4-bromothiophen-3-yl)-(4,5-dimethylthiophen-2-yl)methanamine is Cc1cc(C(N)c2cscc2Br)sc1C.
What is the InChIKey of (4-bromothiophen-3-yl)-(4,5-dimethylthiophen-2-yl)methanamine?
The InChIKey is UJQINDCUPGUMSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrNS2/c1-6-3-10(15-7(6)2)11(13)8-4-14-5-9(8)12/h3-5,11H,13H2,1-2H3.
What are the key properties of (4-bromothiophen-3-yl)-(4,5-dimethylthiophen-2-yl)methanamine?
(4-bromothiophen-3-yl)-(4,5-dimethylthiophen-2-yl)methanamine has a molecular weight of 302.26 g/mol, XLogP of 4.24, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromothiophen-3-yl)-(4,5-dimethylthiophen-2-yl)methanamine is sourced from PubChem (CID 105010852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).