1-(4-bromo-3-methylphenyl)-1-(3-bromo-5-methylthiophen-2-yl)-N-methylmethanamine

C14H15Br2NS — CID 113396708

IUPAC1-(4-bromo-3-methylphenyl)-1-(3-bromo-5-methylthiophen-2-yl)-N-methylmethanamine
SMILESCNC(c1ccc(Br)c(C)c1)c1sc(C)cc1Br
InChIInChI=1S/C14H15Br2NS/c1-8-6-10(4-5-11(8)15)13(17-3)14-12(16)7-9(2)18-14/h4-7,13,17H,1-3H3
InChIKeyAZKCOKRJJXGVHJ-UHFFFAOYSA-N
MW389.16 g/mol
LogP5.20
Rot. Bonds3

About 1-(4-bromo-3-methylphenyl)-1-(3-bromo-5-methylthiophen-2-yl)-N-methylmethanamine

1-(4-bromo-3-methylphenyl)-1-(3-bromo-5-methylthiophen-2-yl)-N-methylmethanamine (PubChem CID 113396708) has the molecular formula C14H15Br2NS and a molecular weight of 389.16 g/mol. Its IUPAC name is 1-(4-bromo-3-methylphenyl)-1-(3-bromo-5-methylthiophen-2-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(4-bromo-3-methylphenyl)-1-(3-bromo-5-methylthiophen-2-yl)-N-methylmethanamine
PubChem CID113396708
Molecular FormulaC14H15Br2NS
Molecular Weight389.16 g/mol
Exact Mass386.93
IUPAC Name1-(4-bromo-3-methylphenyl)-1-(3-bromo-5-methylthiophen-2-yl)-N-methylmethanamine
SMILESCNC(c1ccc(Br)c(C)c1)c1sc(C)cc1Br
InChIInChI=1S/C14H15Br2NS/c1-8-6-10(4-5-11(8)15)13(17-3)14-12(16)7-9(2)18-14/h4-7,13,17H,1-3H3
InChIKeyAZKCOKRJJXGVHJ-UHFFFAOYSA-N
XLogP5.20
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.16
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-bromo-3-fluorophenyl)-1-(3,5-dimethylthiophen-2-yl)-N-methylmethanamine
CID 81157270
1-(3-bromo-5-methylthiophen-2-yl)-1-(3-fluoro-4-methoxyphenyl)-N-methylmethanamine
CID 65279453
1-(3-bromo-5-methylthiophen-2-yl)-1-(5-bromo-4-methylthiophen-2-yl)-N-methylmethanamine
CID 79981226
1-(5-bromo-2-fluorophenyl)-1-(3-bromo-5-methylthiophen-2-yl)-N-methylmethanamine
CID 65279234
1-(3-bromo-5-methylthiophen-2-yl)-1-(2-chlorophenyl)-N-methylmethanamine
CID 65279769
1-(4-bromo-3-methylphenyl)-1-(3,5-dimethoxyphenyl)-N-methylmethanamine
CID 105013631
1-(3,4-dichlorophenyl)-1-(3,5-dimethylthiophen-2-yl)-N-methylmethanamine
CID 81155759
N-[(3-bromo-5-methylthiophen-2-yl)-naphthalen-2-ylmethyl]ethanamine
CID 65278880
1-(4-bromo-3-methylphenyl)-1-(4-tert-butyl-1,3-thiazol-2-yl)-N-methylmethanamine
CID 66481594
3-bromo-2-[chloro-(3,4-dimethylphenyl)methyl]-5-methylthiophene
CID 65278713
1-(3-bromo-5-methylthiophen-2-yl)-N-methyl-1-[2-(trifluoromethyl)phenyl]methanamine
CID 65279026
1-(4-bromo-3-methylphenyl)-1-(2-fluoro-4,6-dimethylphenyl)-N-methylmethanamine
CID 106883524

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-3-methylphenyl)-1-(3-bromo-5-methylthiophen-2-yl)-N-methylmethanamine?
The IUPAC name of 1-(4-bromo-3-methylphenyl)-1-(3-bromo-5-methylthiophen-2-yl)-N-methylmethanamine (CID 113396708) is 1-(4-bromo-3-methylphenyl)-1-(3-bromo-5-methylthiophen-2-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(4-bromo-3-methylphenyl)-1-(3-bromo-5-methylthiophen-2-yl)-N-methylmethanamine?
The canonical SMILES for 1-(4-bromo-3-methylphenyl)-1-(3-bromo-5-methylthiophen-2-yl)-N-methylmethanamine is CNC(c1ccc(Br)c(C)c1)c1sc(C)cc1Br.
What is the InChIKey of 1-(4-bromo-3-methylphenyl)-1-(3-bromo-5-methylthiophen-2-yl)-N-methylmethanamine?
The InChIKey is AZKCOKRJJXGVHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15Br2NS/c1-8-6-10(4-5-11(8)15)13(17-3)14-12(16)7-9(2)18-14/h4-7,13,17H,1-3H3.
What are the key properties of 1-(4-bromo-3-methylphenyl)-1-(3-bromo-5-methylthiophen-2-yl)-N-methylmethanamine?
1-(4-bromo-3-methylphenyl)-1-(3-bromo-5-methylthiophen-2-yl)-N-methylmethanamine has a molecular weight of 389.16 g/mol, XLogP of 5.20, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-3-methylphenyl)-1-(3-bromo-5-methylthiophen-2-yl)-N-methylmethanamine is sourced from PubChem (CID 113396708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).