(3-bromo-5-methylthiophen-2-yl)-(3-methylthiophen-2-yl)methanamine

C11H12BrNS2 — CID 65279285

IUPAC(3-bromo-5-methylthiophen-2-yl)-(3-methylthiophen-2-yl)methanamine
SMILESCc1cc(Br)c(C(N)c2sccc2C)s1
InChIInChI=1S/C11H12BrNS2/c1-6-3-4-14-10(6)9(13)11-8(12)5-7(2)15-11/h3-5,9H,13H2,1-2H3
InChIKeyARMZHDBRJREOAZ-UHFFFAOYSA-N
MW302.26 g/mol
LogP4.24
Rot. Bonds2

About (3-bromo-5-methylthiophen-2-yl)-(3-methylthiophen-2-yl)methanamine

(3-bromo-5-methylthiophen-2-yl)-(3-methylthiophen-2-yl)methanamine (PubChem CID 65279285) has the molecular formula C11H12BrNS2 and a molecular weight of 302.26 g/mol. Its IUPAC name is (3-bromo-5-methylthiophen-2-yl)-(3-methylthiophen-2-yl)methanamine.

Molecular Properties

Compound Name(3-bromo-5-methylthiophen-2-yl)-(3-methylthiophen-2-yl)methanamine
PubChem CID65279285
Molecular FormulaC11H12BrNS2
Molecular Weight302.26 g/mol
Exact Mass300.96
IUPAC Name(3-bromo-5-methylthiophen-2-yl)-(3-methylthiophen-2-yl)methanamine
SMILESCc1cc(Br)c(C(N)c2sccc2C)s1
InChIInChI=1S/C11H12BrNS2/c1-6-3-4-14-10(6)9(13)11-8(12)5-7(2)15-11/h3-5,9H,13H2,1-2H3
InChIKeyARMZHDBRJREOAZ-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

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Related Compounds

(2,5-dibromothiophen-3-yl)-(3-methylthiophen-2-yl)methanamine
CID 43464814
(3-bromo-5-methylthiophen-2-yl)-(4,5-dimethylthiophen-2-yl)methanamine
CID 65279274
(3-bromo-5-methylthiophen-2-yl)-(3,5-dimethylphenyl)methanamine
CID 65279444
(3-bromo-5-methylthiophen-2-yl)-(5-chloro-2-methylphenyl)methanamine
CID 82884050
(3-bromo-5-methylthiophen-2-yl)-(4-tert-butylphenyl)methanamine
CID 65279555
(3-bromofuran-2-yl)-(3-methylthiophen-2-yl)methanamine
CID 115861576
(3-methylthiophen-2-yl)-(2,3,5,6-tetramethylphenyl)methanamine
CID 43384383
(3-bromo-5-methylthiophen-2-yl)-(3,5-dichlorophenyl)methanamine
CID 65279390
(3-bromo-5-methylthiophen-2-yl)-(5-iodothiophen-3-yl)methanamine
CID 79693206
(3-bromo-5-methylthiophen-2-yl)-(2-fluoro-5-methylphenyl)methanamine
CID 65279068
(3-bromo-5-methylthiophen-2-yl)-(4-chloro-2-fluorophenyl)methanamine
CID 65279660
(3-bromo-5-methylthiophen-2-yl)-(3-chloro-2-methylphenyl)methanamine
CID 107096553

Frequently Asked Questions

What is the IUPAC name of (3-bromo-5-methylthiophen-2-yl)-(3-methylthiophen-2-yl)methanamine?
The IUPAC name of (3-bromo-5-methylthiophen-2-yl)-(3-methylthiophen-2-yl)methanamine (CID 65279285) is (3-bromo-5-methylthiophen-2-yl)-(3-methylthiophen-2-yl)methanamine.
What is the SMILES notation for (3-bromo-5-methylthiophen-2-yl)-(3-methylthiophen-2-yl)methanamine?
The canonical SMILES for (3-bromo-5-methylthiophen-2-yl)-(3-methylthiophen-2-yl)methanamine is Cc1cc(Br)c(C(N)c2sccc2C)s1.
What is the InChIKey of (3-bromo-5-methylthiophen-2-yl)-(3-methylthiophen-2-yl)methanamine?
The InChIKey is ARMZHDBRJREOAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrNS2/c1-6-3-4-14-10(6)9(13)11-8(12)5-7(2)15-11/h3-5,9H,13H2,1-2H3.
What are the key properties of (3-bromo-5-methylthiophen-2-yl)-(3-methylthiophen-2-yl)methanamine?
(3-bromo-5-methylthiophen-2-yl)-(3-methylthiophen-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 (3-bromo-5-methylthiophen-2-yl)-(3-methylthiophen-2-yl)methanamine is sourced from PubChem (CID 65279285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).