1-(5-bromothiophen-3-yl)-N-methyl-1-(2-methylphenyl)methanamine

C13H14BrNS — CID 105094830

IUPAC1-(5-bromothiophen-3-yl)-N-methyl-1-(2-methylphenyl)methanamine
SMILESCNC(c1csc(Br)c1)c1ccccc1C
InChIInChI=1S/C13H14BrNS/c1-9-5-3-4-6-11(9)13(15-2)10-7-12(14)16-8-10/h3-8,13,15H,1-2H3
InChIKeyVUJWLJPTLCUDPE-UHFFFAOYSA-N
MW296.23 g/mol
LogP4.13
Rot. Bonds3

About 1-(5-bromothiophen-3-yl)-N-methyl-1-(2-methylphenyl)methanamine

1-(5-bromothiophen-3-yl)-N-methyl-1-(2-methylphenyl)methanamine (PubChem CID 105094830) has the molecular formula C13H14BrNS and a molecular weight of 296.23 g/mol. Its IUPAC name is 1-(5-bromothiophen-3-yl)-N-methyl-1-(2-methylphenyl)methanamine.

Molecular Properties

Compound Name1-(5-bromothiophen-3-yl)-N-methyl-1-(2-methylphenyl)methanamine
PubChem CID105094830
Molecular FormulaC13H14BrNS
Molecular Weight296.23 g/mol
Exact Mass295.00
IUPAC Name1-(5-bromothiophen-3-yl)-N-methyl-1-(2-methylphenyl)methanamine
SMILESCNC(c1csc(Br)c1)c1ccccc1C
InChIInChI=1S/C13H14BrNS/c1-9-5-3-4-6-11(9)13(15-2)10-7-12(14)16-8-10/h3-8,13,15H,1-2H3
InChIKeyVUJWLJPTLCUDPE-UHFFFAOYSA-N
XLogP4.13
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.23
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-bromo-2-fluorophenyl)-1-(5-bromothiophen-3-yl)-N-methylmethanamine
CID 106647686
1-(3-bromophenyl)-N-methyl-1-(2-methylphenyl)methanamine
CID 60819031
1-(5-bromothiophen-3-yl)-N-methyl-1-quinolin-8-ylmethanamine
CID 105172538
1-(5-bromothiophen-3-yl)-1-(2,5-dimethylfuran-3-yl)-N-methylmethanamine
CID 107960902
1-(5-bromothiophen-3-yl)-1-(4-fluoro-3,5-dimethylphenyl)-N-methylmethanamine
CID 107961080
1-(6-bromonaphthalen-2-yl)-N-methyl-1-(2-methylphenyl)methanamine
CID 115795109
1-(3-bromo-5-fluorophenyl)-N-methyl-1-(2-methylphenyl)methanamine
CID 66423844
1-(5-bromothiophen-3-yl)-N-methyl-1-(5-methylfuran-2-yl)methanamine
CID 107960898
1-(5-bromothiophen-3-yl)-1-(5-chloro-2-methoxyphenyl)-N-methylmethanamine
CID 105141025
1-(5-bromothiophen-3-yl)-1-(4-chlorophenyl)-N-methylmethanamine
CID 105076520
1-(2,5-dibromophenyl)-N-methyl-1-(2-methylphenyl)methanamine
CID 43482299
1-(5-bromofuran-2-yl)-1-(5-bromothiophen-3-yl)-N-methylmethanamine
CID 107961154

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromothiophen-3-yl)-N-methyl-1-(2-methylphenyl)methanamine?
The IUPAC name of 1-(5-bromothiophen-3-yl)-N-methyl-1-(2-methylphenyl)methanamine (CID 105094830) is 1-(5-bromothiophen-3-yl)-N-methyl-1-(2-methylphenyl)methanamine.
What is the SMILES notation for 1-(5-bromothiophen-3-yl)-N-methyl-1-(2-methylphenyl)methanamine?
The canonical SMILES for 1-(5-bromothiophen-3-yl)-N-methyl-1-(2-methylphenyl)methanamine is CNC(c1csc(Br)c1)c1ccccc1C.
What is the InChIKey of 1-(5-bromothiophen-3-yl)-N-methyl-1-(2-methylphenyl)methanamine?
The InChIKey is VUJWLJPTLCUDPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrNS/c1-9-5-3-4-6-11(9)13(15-2)10-7-12(14)16-8-10/h3-8,13,15H,1-2H3.
What are the key properties of 1-(5-bromothiophen-3-yl)-N-methyl-1-(2-methylphenyl)methanamine?
1-(5-bromothiophen-3-yl)-N-methyl-1-(2-methylphenyl)methanamine has a molecular weight of 296.23 g/mol, XLogP of 4.13, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromothiophen-3-yl)-N-methyl-1-(2-methylphenyl)methanamine is sourced from PubChem (CID 105094830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).