1-(2,4-dibromophenyl)-1-(2,5-dimethylthiophen-3-yl)-N-methylmethanamine

C14H15Br2NS — CID 107950365

IUPAC1-(2,4-dibromophenyl)-1-(2,5-dimethylthiophen-3-yl)-N-methylmethanamine
SMILESCNC(c1ccc(Br)cc1Br)c1cc(C)sc1C
InChIInChI=1S/C14H15Br2NS/c1-8-6-12(9(2)18-8)14(17-3)11-5-4-10(15)7-13(11)16/h4-7,14,17H,1-3H3
InChIKeyFLIGRGJZJDXCMO-UHFFFAOYSA-N
MW389.16 g/mol
LogP5.20
Rot. Bonds3

About 1-(2,4-dibromophenyl)-1-(2,5-dimethylthiophen-3-yl)-N-methylmethanamine

1-(2,4-dibromophenyl)-1-(2,5-dimethylthiophen-3-yl)-N-methylmethanamine (PubChem CID 107950365) has the molecular formula C14H15Br2NS and a molecular weight of 389.16 g/mol. Its IUPAC name is 1-(2,4-dibromophenyl)-1-(2,5-dimethylthiophen-3-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(2,4-dibromophenyl)-1-(2,5-dimethylthiophen-3-yl)-N-methylmethanamine
PubChem CID107950365
Molecular FormulaC14H15Br2NS
Molecular Weight389.16 g/mol
Exact Mass386.93
IUPAC Name1-(2,4-dibromophenyl)-1-(2,5-dimethylthiophen-3-yl)-N-methylmethanamine
SMILESCNC(c1ccc(Br)cc1Br)c1cc(C)sc1C
InChIInChI=1S/C14H15Br2NS/c1-8-6-12(9(2)18-8)14(17-3)11-5-4-10(15)7-13(11)16/h4-7,14,17H,1-3H3
InChIKeyFLIGRGJZJDXCMO-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

N-[(2,4-dibromophenyl)-(2,5-dimethylthiophen-3-yl)methyl]propan-1-amine
CID 107950445
1-(2,4-dibromophenyl)-N-methyl-1-(5-methylthiophen-2-yl)methanamine
CID 107946211
1-(2-bromofuran-3-yl)-1-(2,5-dimethylthiophen-3-yl)-N-methylmethanamine
CID 106851575
1-(2-bromo-4-chlorophenyl)-1-(5-bromo-2-methylthiophen-3-yl)-N-methylmethanamine
CID 114024441
1-(3-bromo-5-methylphenyl)-1-(2,5-dimethylthiophen-3-yl)-N-methylmethanamine
CID 104851175
2,4-dibromo-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]aniline
CID 43683002
1-(2,4-dibromophenyl)-1-(2,4-difluorophenyl)-N-methylmethanamine
CID 107945698
1-(2-chloro-4-fluorophenyl)-1-(2,5-dimethylthiophen-3-yl)-N-methylmethanamine
CID 43485300
1-(5-bromo-2-methoxy-4-methylphenyl)-1-(2,4-dibromophenyl)-N-methylmethanamine
CID 107950679
1-(2,4-dibromophenyl)-1-(4-fluorophenyl)-N-methylmethanamine
CID 107945033
1-(4-bromo-2-chlorophenyl)-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]ethanamine
CID 82774817
1-(5-bromo-2-methylthiophen-3-yl)-1-(6-bromonaphthalen-2-yl)-N-methylmethanamine
CID 115353809

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dibromophenyl)-1-(2,5-dimethylthiophen-3-yl)-N-methylmethanamine?
The IUPAC name of 1-(2,4-dibromophenyl)-1-(2,5-dimethylthiophen-3-yl)-N-methylmethanamine (CID 107950365) is 1-(2,4-dibromophenyl)-1-(2,5-dimethylthiophen-3-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(2,4-dibromophenyl)-1-(2,5-dimethylthiophen-3-yl)-N-methylmethanamine?
The canonical SMILES for 1-(2,4-dibromophenyl)-1-(2,5-dimethylthiophen-3-yl)-N-methylmethanamine is CNC(c1ccc(Br)cc1Br)c1cc(C)sc1C.
What is the InChIKey of 1-(2,4-dibromophenyl)-1-(2,5-dimethylthiophen-3-yl)-N-methylmethanamine?
The InChIKey is FLIGRGJZJDXCMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15Br2NS/c1-8-6-12(9(2)18-8)14(17-3)11-5-4-10(15)7-13(11)16/h4-7,14,17H,1-3H3.
What are the key properties of 1-(2,4-dibromophenyl)-1-(2,5-dimethylthiophen-3-yl)-N-methylmethanamine?
1-(2,4-dibromophenyl)-1-(2,5-dimethylthiophen-3-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-(2,4-dibromophenyl)-1-(2,5-dimethylthiophen-3-yl)-N-methylmethanamine is sourced from PubChem (CID 107950365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).