1-(3-bromo-4-methoxyphenyl)-1-(5-chlorothiophen-2-yl)-N-methylmethanamine

C13H13BrClNOS — CID 61034062

IUPAC1-(3-bromo-4-methoxyphenyl)-1-(5-chlorothiophen-2-yl)-N-methylmethanamine
SMILESCNC(c1ccc(OC)c(Br)c1)c1ccc(Cl)s1
InChIInChI=1S/C13H13BrClNOS/c1-16-13(11-5-6-12(15)18-11)8-3-4-10(17-2)9(14)7-8/h3-7,13,16H,1-2H3
InChIKeySIBGGJQKRLGXID-UHFFFAOYSA-N
MW346.68 g/mol
LogP4.48
Rot. Bonds4

About 1-(3-bromo-4-methoxyphenyl)-1-(5-chlorothiophen-2-yl)-N-methylmethanamine

1-(3-bromo-4-methoxyphenyl)-1-(5-chlorothiophen-2-yl)-N-methylmethanamine (PubChem CID 61034062) has the molecular formula C13H13BrClNOS and a molecular weight of 346.68 g/mol. Its IUPAC name is 1-(3-bromo-4-methoxyphenyl)-1-(5-chlorothiophen-2-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(3-bromo-4-methoxyphenyl)-1-(5-chlorothiophen-2-yl)-N-methylmethanamine
PubChem CID61034062
Molecular FormulaC13H13BrClNOS
Molecular Weight346.68 g/mol
Exact Mass344.96
IUPAC Name1-(3-bromo-4-methoxyphenyl)-1-(5-chlorothiophen-2-yl)-N-methylmethanamine
SMILESCNC(c1ccc(OC)c(Br)c1)c1ccc(Cl)s1
InChIInChI=1S/C13H13BrClNOS/c1-16-13(11-5-6-12(15)18-11)8-3-4-10(17-2)9(14)7-8/h3-7,13,16H,1-2H3
InChIKeySIBGGJQKRLGXID-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-(3-bromo-4-ethoxyphenyl)-1-(5-chlorothiophen-2-yl)-N-methylmethanamine
CID 104657513
2-[(3-bromo-4-methoxyphenyl)-chloromethyl]-5-chlorothiophene
CID 63427355
1-(3-bromo-4-methoxyphenyl)-1-(4-chlorophenyl)-N-methylmethanamine
CID 43479980
1-(5-bromothiophen-2-yl)-1-(4-chloro-3-methoxyphenyl)-N-methylmethanamine
CID 79700135
1-(2-bromo-4-methoxyphenyl)-1-(5-chlorothiophen-2-yl)-N-methylmethanamine
CID 62278586
1-(4-bromo-5-chlorothiophen-2-yl)-1-(3-methoxy-4-methylphenyl)-N-methylmethanamine
CID 102828202
[(3-bromo-4-methoxyphenyl)-(5-methylthiophen-2-yl)methyl]hydrazine
CID 105318789
[(5-chlorothiophen-2-yl)-(4-methoxy-3-methylphenyl)methyl]hydrazine
CID 105258417
1-(3-bromo-4-methoxyphenyl)-N-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine
CID 106786008
N-[(3-bromo-4-ethoxyphenyl)-(5-chlorothiophen-2-yl)methyl]propan-1-amine
CID 104657731
[(5-chlorothiophen-2-yl)-(3-fluoro-4-methoxyphenyl)methyl]hydrazine
CID 105303967
1-(5-bromofuran-2-yl)-1-(3-bromo-4-methoxyphenyl)-N-methylmethanamine
CID 43479896

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-4-methoxyphenyl)-1-(5-chlorothiophen-2-yl)-N-methylmethanamine?
The IUPAC name of 1-(3-bromo-4-methoxyphenyl)-1-(5-chlorothiophen-2-yl)-N-methylmethanamine (CID 61034062) is 1-(3-bromo-4-methoxyphenyl)-1-(5-chlorothiophen-2-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(3-bromo-4-methoxyphenyl)-1-(5-chlorothiophen-2-yl)-N-methylmethanamine?
The canonical SMILES for 1-(3-bromo-4-methoxyphenyl)-1-(5-chlorothiophen-2-yl)-N-methylmethanamine is CNC(c1ccc(OC)c(Br)c1)c1ccc(Cl)s1.
What is the InChIKey of 1-(3-bromo-4-methoxyphenyl)-1-(5-chlorothiophen-2-yl)-N-methylmethanamine?
The InChIKey is SIBGGJQKRLGXID-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrClNOS/c1-16-13(11-5-6-12(15)18-11)8-3-4-10(17-2)9(14)7-8/h3-7,13,16H,1-2H3.
What are the key properties of 1-(3-bromo-4-methoxyphenyl)-1-(5-chlorothiophen-2-yl)-N-methylmethanamine?
1-(3-bromo-4-methoxyphenyl)-1-(5-chlorothiophen-2-yl)-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-(3-bromo-4-methoxyphenyl)-1-(5-chlorothiophen-2-yl)-N-methylmethanamine is sourced from PubChem (CID 61034062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).