1-(2,5-dibromothiophen-3-yl)-1-(2,5-dichloro-4-methoxyphenyl)-N-methylmethanamine

C13H11Br2Cl2NOS — CID 107961280

IUPAC1-(2,5-dibromothiophen-3-yl)-1-(2,5-dichloro-4-methoxyphenyl)-N-methylmethanamine
SMILESCNC(c1cc(Cl)c(OC)cc1Cl)c1cc(Br)sc1Br
InChIInChI=1S/C13H11Br2Cl2NOS/c1-18-12(7-4-11(14)20-13(7)15)6-3-9(17)10(19-2)5-8(6)16/h3-5,12,18H,1-2H3
InChIKeyDREQGFDUVMHFTI-UHFFFAOYSA-N
MW460.02 g/mol
LogP5.90
Rot. Bonds4

About 1-(2,5-dibromothiophen-3-yl)-1-(2,5-dichloro-4-methoxyphenyl)-N-methylmethanamine

1-(2,5-dibromothiophen-3-yl)-1-(2,5-dichloro-4-methoxyphenyl)-N-methylmethanamine (PubChem CID 107961280) has the molecular formula C13H11Br2Cl2NOS and a molecular weight of 460.02 g/mol. Its IUPAC name is 1-(2,5-dibromothiophen-3-yl)-1-(2,5-dichloro-4-methoxyphenyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(2,5-dibromothiophen-3-yl)-1-(2,5-dichloro-4-methoxyphenyl)-N-methylmethanamine
PubChem CID107961280
Molecular FormulaC13H11Br2Cl2NOS
Molecular Weight460.02 g/mol
Exact Mass456.83
IUPAC Name1-(2,5-dibromothiophen-3-yl)-1-(2,5-dichloro-4-methoxyphenyl)-N-methylmethanamine
SMILESCNC(c1cc(Cl)c(OC)cc1Cl)c1cc(Br)sc1Br
InChIInChI=1S/C13H11Br2Cl2NOS/c1-18-12(7-4-11(14)20-13(7)15)6-3-9(17)10(19-2)5-8(6)16/h3-5,12,18H,1-2H3
InChIKeyDREQGFDUVMHFTI-UHFFFAOYSA-N
XLogP5.90
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.02
LogP ≤ 55.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2,5-dibromothiophen-3-yl)-(2,5-dichloro-4-methoxyphenyl)methanol
CID 107964358
1-(3-bromo-5-chloro-2-methoxyphenyl)-1-(2,5-dibromothiophen-3-yl)-N-methylmethanamine
CID 107960613
2,5-dibromo-3-[chloro-(2-chloro-4,5-dimethoxyphenyl)methyl]thiophene
CID 107964535
1-(2-chloro-4-fluorophenyl)-1-(2,5-dibromothiophen-3-yl)-N-methylmethanamine
CID 43486940
1-(2,5-dibromophenyl)-1-(2,5-dichloro-4-methoxyphenyl)-N-methylmethanamine
CID 114369248
1-(4-bromo-5-chloro-2-fluorophenyl)-1-(2,5-dibromothiophen-3-yl)-N-methylmethanamine
CID 107961395
1-(2,5-dibromothiophen-3-yl)-1-(4-fluoro-3-methoxyphenyl)-N-methylmethanamine
CID 81283093
1-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-1-(2,5-dibromothiophen-3-yl)-N-methylmethanamine
CID 107960693
1-(2-bromo-3-methylphenyl)-1-(2,5-dichloro-4-methoxyphenyl)-N-methylmethanamine
CID 107982118
1-(3-chloro-2-methylphenyl)-1-(2,5-dichloro-4-methoxyphenyl)-N-methylmethanamine
CID 107096626
1-(2,5-dibromothiophen-3-yl)-N-methyl-1-(2,4,5-trifluorophenyl)methanamine
CID 107961434
1-(5-bromothiophen-2-yl)-1-(4-chloro-3-methoxyphenyl)-N-methylmethanamine
CID 79700135

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dibromothiophen-3-yl)-1-(2,5-dichloro-4-methoxyphenyl)-N-methylmethanamine?
The IUPAC name of 1-(2,5-dibromothiophen-3-yl)-1-(2,5-dichloro-4-methoxyphenyl)-N-methylmethanamine (CID 107961280) is 1-(2,5-dibromothiophen-3-yl)-1-(2,5-dichloro-4-methoxyphenyl)-N-methylmethanamine.
What is the SMILES notation for 1-(2,5-dibromothiophen-3-yl)-1-(2,5-dichloro-4-methoxyphenyl)-N-methylmethanamine?
The canonical SMILES for 1-(2,5-dibromothiophen-3-yl)-1-(2,5-dichloro-4-methoxyphenyl)-N-methylmethanamine is CNC(c1cc(Cl)c(OC)cc1Cl)c1cc(Br)sc1Br.
What is the InChIKey of 1-(2,5-dibromothiophen-3-yl)-1-(2,5-dichloro-4-methoxyphenyl)-N-methylmethanamine?
The InChIKey is DREQGFDUVMHFTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Br2Cl2NOS/c1-18-12(7-4-11(14)20-13(7)15)6-3-9(17)10(19-2)5-8(6)16/h3-5,12,18H,1-2H3.
What are the key properties of 1-(2,5-dibromothiophen-3-yl)-1-(2,5-dichloro-4-methoxyphenyl)-N-methylmethanamine?
1-(2,5-dibromothiophen-3-yl)-1-(2,5-dichloro-4-methoxyphenyl)-N-methylmethanamine has a molecular weight of 460.02 g/mol, XLogP of 5.90, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dibromothiophen-3-yl)-1-(2,5-dichloro-4-methoxyphenyl)-N-methylmethanamine is sourced from PubChem (CID 107961280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).