(5-bromo-4-methylthiophen-2-yl)-(3,5-dimethylthiophen-2-yl)methanamine

C12H14BrNS2 — CID 81156396

IUPAC(5-bromo-4-methylthiophen-2-yl)-(3,5-dimethylthiophen-2-yl)methanamine
SMILESCc1cc(C)c(C(N)c2cc(C)c(Br)s2)s1
InChIInChI=1S/C12H14BrNS2/c1-6-4-8(3)15-11(6)10(14)9-5-7(2)12(13)16-9/h4-5,10H,14H2,1-3H3
InChIKeyRRPGIOCZSLTRTE-UHFFFAOYSA-N
MW316.29 g/mol
LogP4.55
Rot. Bonds2

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

(5-bromo-4-methylthiophen-2-yl)-(3,5-dimethylthiophen-2-yl)methanamine (PubChem CID 81156396) has the molecular formula C12H14BrNS2 and a molecular weight of 316.29 g/mol. Its IUPAC name is (5-bromo-4-methylthiophen-2-yl)-(3,5-dimethylthiophen-2-yl)methanamine.

Molecular Properties

Compound Name(5-bromo-4-methylthiophen-2-yl)-(3,5-dimethylthiophen-2-yl)methanamine
PubChem CID81156396
Molecular FormulaC12H14BrNS2
Molecular Weight316.29 g/mol
Exact Mass314.98
IUPAC Name(5-bromo-4-methylthiophen-2-yl)-(3,5-dimethylthiophen-2-yl)methanamine
SMILESCc1cc(C)c(C(N)c2cc(C)c(Br)s2)s1
InChIInChI=1S/C12H14BrNS2/c1-6-4-8(3)15-11(6)10(14)9-5-7(2)12(13)16-9/h4-5,10H,14H2,1-3H3
InChIKeyRRPGIOCZSLTRTE-UHFFFAOYSA-N
XLogP4.55
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.29
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3-bromo-5-methylthiophen-2-yl)-(4,5-dimethylthiophen-2-yl)methanamine
CID 65279274
(4-bromo-3-chlorophenyl)-(3,5-dimethylthiophen-2-yl)methanamine
CID 81290487
(5-bromo-4-methylthiophen-2-yl)-(5-bromo-3-methyltriazol-4-yl)methanamine
CID 106464575
1-(3-bromo-5-methylthiophen-2-yl)-1-(5-bromo-4-methylthiophen-2-yl)-N-methylmethanamine
CID 79981226
(1R)-1-(5-bromo-4-methylthiophen-2-yl)-2,2-dimethylpropan-1-amine;hydrochloride
CID 171247467
(1S)-1-(5-bromo-4-methylthiophen-2-yl)prop-2-en-1-amine
CID 131039487
(5-bromo-4-methylthiophen-2-yl)-(furan-3-yl)methanamine
CID 79992382
(5-bromo-4-methylthiophen-2-yl)-(4-methoxyphenyl)methanamine
CID 79981203
(2-bromofuran-3-yl)-(5-bromo-4-methylthiophen-2-yl)methanamine
CID 106851869
(5-bromo-4-methylthiophen-2-yl)-(5-chloro-2-methylphenyl)methanamine
CID 82884129
(5-bromo-4-methylthiophen-2-yl)-(2,6-difluoro-4-methoxyphenyl)methanamine
CID 79981146
(2-bromo-4,5-dimethoxyphenyl)-(5-bromo-4-methylthiophen-2-yl)methanamine
CID 79981793

Frequently Asked Questions

What is the IUPAC name of (5-bromo-4-methylthiophen-2-yl)-(3,5-dimethylthiophen-2-yl)methanamine?
The IUPAC name of (5-bromo-4-methylthiophen-2-yl)-(3,5-dimethylthiophen-2-yl)methanamine (CID 81156396) is (5-bromo-4-methylthiophen-2-yl)-(3,5-dimethylthiophen-2-yl)methanamine.
What is the SMILES notation for (5-bromo-4-methylthiophen-2-yl)-(3,5-dimethylthiophen-2-yl)methanamine?
The canonical SMILES for (5-bromo-4-methylthiophen-2-yl)-(3,5-dimethylthiophen-2-yl)methanamine is Cc1cc(C)c(C(N)c2cc(C)c(Br)s2)s1.
What is the InChIKey of (5-bromo-4-methylthiophen-2-yl)-(3,5-dimethylthiophen-2-yl)methanamine?
The InChIKey is RRPGIOCZSLTRTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrNS2/c1-6-4-8(3)15-11(6)10(14)9-5-7(2)12(13)16-9/h4-5,10H,14H2,1-3H3.
What are the key properties of (5-bromo-4-methylthiophen-2-yl)-(3,5-dimethylthiophen-2-yl)methanamine?
(5-bromo-4-methylthiophen-2-yl)-(3,5-dimethylthiophen-2-yl)methanamine has a molecular weight of 316.29 g/mol, XLogP of 4.55, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-4-methylthiophen-2-yl)-(3,5-dimethylthiophen-2-yl)methanamine is sourced from PubChem (CID 81156396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).