1-(5-bromothiophen-3-yl)-1-(5-chloro-2-methoxyphenyl)-N-methylmethanamine

C13H13BrClNOS — CID 105141025

IUPAC1-(5-bromothiophen-3-yl)-1-(5-chloro-2-methoxyphenyl)-N-methylmethanamine
SMILESCNC(c1csc(Br)c1)c1cc(Cl)ccc1OC
InChIInChI=1S/C13H13BrClNOS/c1-16-13(8-5-12(14)18-7-8)10-6-9(15)3-4-11(10)17-2/h3-7,13,16H,1-2H3
InChIKeyRDLLMVACVUCQRG-UHFFFAOYSA-N
MW346.68 g/mol
LogP4.48
Rot. Bonds4

About 1-(5-bromothiophen-3-yl)-1-(5-chloro-2-methoxyphenyl)-N-methylmethanamine

1-(5-bromothiophen-3-yl)-1-(5-chloro-2-methoxyphenyl)-N-methylmethanamine (PubChem CID 105141025) has the molecular formula C13H13BrClNOS and a molecular weight of 346.68 g/mol. Its IUPAC name is 1-(5-bromothiophen-3-yl)-1-(5-chloro-2-methoxyphenyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(5-bromothiophen-3-yl)-1-(5-chloro-2-methoxyphenyl)-N-methylmethanamine
PubChem CID105141025
Molecular FormulaC13H13BrClNOS
Molecular Weight346.68 g/mol
Exact Mass344.96
IUPAC Name1-(5-bromothiophen-3-yl)-1-(5-chloro-2-methoxyphenyl)-N-methylmethanamine
SMILESCNC(c1csc(Br)c1)c1cc(Cl)ccc1OC
InChIInChI=1S/C13H13BrClNOS/c1-16-13(8-5-12(14)18-7-8)10-6-9(15)3-4-11(10)17-2/h3-7,13,16H,1-2H3
InChIKeyRDLLMVACVUCQRG-UHFFFAOYSA-N
XLogP4.48
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.68
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-chloro-2-methoxyphenyl)-1-(4-chlorophenyl)-N-methylmethanamine
CID 43481413
1-(5-chloro-2-methoxyphenyl)-N-methyl-1-thiophen-3-ylmethanamine
CID 62791195
1-(5-chloro-2-methoxyphenyl)-N-methyl-1-(3,4,5-trifluorophenyl)methanamine
CID 62789375
1-(5-chloro-2-methoxyphenyl)-1-(4-methoxyphenyl)-N-methylmethanamine
CID 43481650
1-(5-bromothiophen-3-yl)-1-(4-chlorophenyl)-N-methylmethanamine
CID 105076520
1-(5-chloro-2-methoxyphenyl)-1-(4-fluoro-3-methoxyphenyl)-N-methylmethanamine
CID 104545899
1-(5-bromo-2-chlorophenyl)-1-(5-chloro-2-methoxyphenyl)-N-methylmethanamine
CID 104545863
1-(5-chloro-2-methoxyphenyl)-N,N'-dimethylmethanediamine
CID 116954303
1-(5-bromo-2-methoxyphenyl)-1-(5-chloro-2-fluorophenyl)-N-methylmethanamine
CID 43480054
1-(5-chloro-2-methoxyphenyl)-1-(3-iodophenyl)-N-methylmethanamine
CID 104545912
1-(4-bromo-2-fluorophenyl)-1-(5-chloro-2-methoxyphenyl)-N-methylmethanamine
CID 104545947
1-(5-bromothiophen-3-yl)-N-methyl-1-(2-methylphenyl)methanamine
CID 105094830

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromothiophen-3-yl)-1-(5-chloro-2-methoxyphenyl)-N-methylmethanamine?
The IUPAC name of 1-(5-bromothiophen-3-yl)-1-(5-chloro-2-methoxyphenyl)-N-methylmethanamine (CID 105141025) is 1-(5-bromothiophen-3-yl)-1-(5-chloro-2-methoxyphenyl)-N-methylmethanamine.
What is the SMILES notation for 1-(5-bromothiophen-3-yl)-1-(5-chloro-2-methoxyphenyl)-N-methylmethanamine?
The canonical SMILES for 1-(5-bromothiophen-3-yl)-1-(5-chloro-2-methoxyphenyl)-N-methylmethanamine is CNC(c1csc(Br)c1)c1cc(Cl)ccc1OC.
What is the InChIKey of 1-(5-bromothiophen-3-yl)-1-(5-chloro-2-methoxyphenyl)-N-methylmethanamine?
The InChIKey is RDLLMVACVUCQRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrClNOS/c1-16-13(8-5-12(14)18-7-8)10-6-9(15)3-4-11(10)17-2/h3-7,13,16H,1-2H3.
What are the key properties of 1-(5-bromothiophen-3-yl)-1-(5-chloro-2-methoxyphenyl)-N-methylmethanamine?
1-(5-bromothiophen-3-yl)-1-(5-chloro-2-methoxyphenyl)-N-methylmethanamine has a molecular weight of 346.68 g/mol, XLogP of 4.48, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromothiophen-3-yl)-1-(5-chloro-2-methoxyphenyl)-N-methylmethanamine is sourced from PubChem (CID 105141025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).