1-(4-bromo-5-methylthiophen-2-yl)-N-methyl-1-(4-methylthiophen-3-yl)methanamine

C12H14BrNS2 — CID 102827434

IUPAC1-(4-bromo-5-methylthiophen-2-yl)-N-methyl-1-(4-methylthiophen-3-yl)methanamine
SMILESCNC(c1cc(Br)c(C)s1)c1cscc1C
InChIInChI=1S/C12H14BrNS2/c1-7-5-15-6-9(7)12(14-3)11-4-10(13)8(2)16-11/h4-6,12,14H,1-3H3
InChIKeyPUEYPHDCMKHUFD-UHFFFAOYSA-N
MW316.29 g/mol
LogP4.50
Rot. Bonds3

About 1-(4-bromo-5-methylthiophen-2-yl)-N-methyl-1-(4-methylthiophen-3-yl)methanamine

1-(4-bromo-5-methylthiophen-2-yl)-N-methyl-1-(4-methylthiophen-3-yl)methanamine (PubChem CID 102827434) has the molecular formula C12H14BrNS2 and a molecular weight of 316.29 g/mol. Its IUPAC name is 1-(4-bromo-5-methylthiophen-2-yl)-N-methyl-1-(4-methylthiophen-3-yl)methanamine.

Molecular Properties

Compound Name1-(4-bromo-5-methylthiophen-2-yl)-N-methyl-1-(4-methylthiophen-3-yl)methanamine
PubChem CID102827434
Molecular FormulaC12H14BrNS2
Molecular Weight316.29 g/mol
Exact Mass314.98
IUPAC Name1-(4-bromo-5-methylthiophen-2-yl)-N-methyl-1-(4-methylthiophen-3-yl)methanamine
SMILESCNC(c1cc(Br)c(C)s1)c1cscc1C
InChIInChI=1S/C12H14BrNS2/c1-7-5-15-6-9(7)12(14-3)11-4-10(13)8(2)16-11/h4-6,12,14H,1-3H3
InChIKeyPUEYPHDCMKHUFD-UHFFFAOYSA-N
XLogP4.50
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.29
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-bromo-5-methylthiophen-2-yl)-1-(2-methoxy-5-methylphenyl)-N-methylmethanamine
CID 102827361
1-(4-bromo-5-methylthiophen-2-yl)-1-(2-methoxyphenyl)-N-methylmethanamine
CID 102827334
1-(4-bromo-5-methylthiophen-2-yl)-N-methyl-1-naphthalen-1-ylmethanamine
CID 102827456
1-(4-bromo-5-methylthiophen-2-yl)-1-(4-bromophenyl)-N-methylmethanamine
CID 102827316
1-(3,4-dimethylphenyl)-N-methyl-1-(4-methylthiophen-3-yl)methanamine
CID 79802800
1-(4-bromo-5-methylthiophen-2-yl)-N-methyl-1-(2,4,6-trifluorophenyl)methanamine
CID 102827250
1-(4-bromo-5-methylthiophen-2-yl)-1-(3-chloro-4-methylphenyl)-N-methylmethanamine
CID 102827397
N-methyl-1-(4-methylthiophen-3-yl)-1-(2,3,4,5,6-pentamethylphenyl)methanamine
CID 79802613
1-(5-bromo-2-methoxyphenyl)-1-(4,5-dimethylthiophen-2-yl)-N-methylmethanamine
CID 65237360
1-(4-bromo-5-methylthiophen-2-yl)-1-(3-chloro-5-methylphenyl)-N-methylmethanamine
CID 102827385
1-(3-bromo-2-fluorophenyl)-1-(4,5-dimethylthiophen-2-yl)-N-methylmethanamine
CID 106647705
1-(4-bromo-2,5-dimethoxyphenyl)-1-(5-bromo-4-methylthiophen-2-yl)-N-methylmethanamine
CID 105056785

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-5-methylthiophen-2-yl)-N-methyl-1-(4-methylthiophen-3-yl)methanamine?
The IUPAC name of 1-(4-bromo-5-methylthiophen-2-yl)-N-methyl-1-(4-methylthiophen-3-yl)methanamine (CID 102827434) is 1-(4-bromo-5-methylthiophen-2-yl)-N-methyl-1-(4-methylthiophen-3-yl)methanamine.
What is the SMILES notation for 1-(4-bromo-5-methylthiophen-2-yl)-N-methyl-1-(4-methylthiophen-3-yl)methanamine?
The canonical SMILES for 1-(4-bromo-5-methylthiophen-2-yl)-N-methyl-1-(4-methylthiophen-3-yl)methanamine is CNC(c1cc(Br)c(C)s1)c1cscc1C.
What is the InChIKey of 1-(4-bromo-5-methylthiophen-2-yl)-N-methyl-1-(4-methylthiophen-3-yl)methanamine?
The InChIKey is PUEYPHDCMKHUFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrNS2/c1-7-5-15-6-9(7)12(14-3)11-4-10(13)8(2)16-11/h4-6,12,14H,1-3H3.
What are the key properties of 1-(4-bromo-5-methylthiophen-2-yl)-N-methyl-1-(4-methylthiophen-3-yl)methanamine?
1-(4-bromo-5-methylthiophen-2-yl)-N-methyl-1-(4-methylthiophen-3-yl)methanamine has a molecular weight of 316.29 g/mol, XLogP of 4.50, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-5-methylthiophen-2-yl)-N-methyl-1-(4-methylthiophen-3-yl)methanamine is sourced from PubChem (CID 102827434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).