1-(3-bromothiophen-2-yl)-1-(2-chloro-4-methoxyphenyl)-N-methylmethanamine

C13H13BrClNOS — CID 63796523

IUPAC1-(3-bromothiophen-2-yl)-1-(2-chloro-4-methoxyphenyl)-N-methylmethanamine
SMILESCNC(c1ccc(OC)cc1Cl)c1sccc1Br
InChIInChI=1S/C13H13BrClNOS/c1-16-12(13-10(14)5-6-18-13)9-4-3-8(17-2)7-11(9)15/h3-7,12,16H,1-2H3
InChIKeyLTSYJIXCSAOWLM-UHFFFAOYSA-N
MW346.68 g/mol
LogP4.48
Rot. Bonds4

About 1-(3-bromothiophen-2-yl)-1-(2-chloro-4-methoxyphenyl)-N-methylmethanamine

1-(3-bromothiophen-2-yl)-1-(2-chloro-4-methoxyphenyl)-N-methylmethanamine (PubChem CID 63796523) has the molecular formula C13H13BrClNOS and a molecular weight of 346.68 g/mol. Its IUPAC name is 1-(3-bromothiophen-2-yl)-1-(2-chloro-4-methoxyphenyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(3-bromothiophen-2-yl)-1-(2-chloro-4-methoxyphenyl)-N-methylmethanamine
PubChem CID63796523
Molecular FormulaC13H13BrClNOS
Molecular Weight346.68 g/mol
Exact Mass344.96
IUPAC Name1-(3-bromothiophen-2-yl)-1-(2-chloro-4-methoxyphenyl)-N-methylmethanamine
SMILESCNC(c1ccc(OC)cc1Cl)c1sccc1Br
InChIInChI=1S/C13H13BrClNOS/c1-16-12(13-10(14)5-6-18-13)9-4-3-8(17-2)7-11(9)15/h3-7,12,16H,1-2H3
InChIKeyLTSYJIXCSAOWLM-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-(4-bromo-2-chlorophenyl)-1-(3-bromothiophen-2-yl)-N-methylmethanamine
CID 80535100
1-(2-bromophenyl)-1-(2-chloro-4-methoxyphenyl)-N-methylmethanamine
CID 43561945
1-(3-bromo-4-chlorophenyl)-1-(2-chloro-4-methoxyphenyl)-N-methylmethanamine
CID 107998666
1-(3-bromothiophen-2-yl)-1-(5-methoxy-3-pyridinyl)-N-methylmethanamine
CID 105025777
1-(2-chloro-4-methoxyphenyl)-1-(3,5-dichlorophenyl)-N-methylmethanamine
CID 43561947
1-(2-chloro-4-methoxyphenyl)-1-(2,5-dichlorophenyl)-N-methylmethanamine
CID 43561902
(2-bromo-4-methoxyphenyl)-(3-bromothiophen-2-yl)methanamine
CID 63797566
1-(4-methoxy-2-methylphenyl)-1-(3-methoxythiophen-2-yl)-N-methylmethanamine
CID 81127903
1-(2-chloro-4-methoxyphenyl)-1-(3,5-difluorophenyl)-N-methylmethanamine
CID 43561906
1-(5-bromo-4-chlorothiophen-2-yl)-1-(3-bromothiophen-2-yl)-N-methylmethanamine
CID 80530701
1-(2-chloro-4-methoxyphenyl)-N-methyl-1-(4-methylsulfanylphenyl)methanamine
CID 79215110
1-(2-chloro-4-methoxyphenyl)-1-(4-ethylphenyl)-N-methylmethanamine
CID 43561996

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromothiophen-2-yl)-1-(2-chloro-4-methoxyphenyl)-N-methylmethanamine?
The IUPAC name of 1-(3-bromothiophen-2-yl)-1-(2-chloro-4-methoxyphenyl)-N-methylmethanamine (CID 63796523) is 1-(3-bromothiophen-2-yl)-1-(2-chloro-4-methoxyphenyl)-N-methylmethanamine.
What is the SMILES notation for 1-(3-bromothiophen-2-yl)-1-(2-chloro-4-methoxyphenyl)-N-methylmethanamine?
The canonical SMILES for 1-(3-bromothiophen-2-yl)-1-(2-chloro-4-methoxyphenyl)-N-methylmethanamine is CNC(c1ccc(OC)cc1Cl)c1sccc1Br.
What is the InChIKey of 1-(3-bromothiophen-2-yl)-1-(2-chloro-4-methoxyphenyl)-N-methylmethanamine?
The InChIKey is LTSYJIXCSAOWLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrClNOS/c1-16-12(13-10(14)5-6-18-13)9-4-3-8(17-2)7-11(9)15/h3-7,12,16H,1-2H3.
What are the key properties of 1-(3-bromothiophen-2-yl)-1-(2-chloro-4-methoxyphenyl)-N-methylmethanamine?
1-(3-bromothiophen-2-yl)-1-(2-chloro-4-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-(3-bromothiophen-2-yl)-1-(2-chloro-4-methoxyphenyl)-N-methylmethanamine is sourced from PubChem (CID 63796523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).