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

C13H13BrClNOS — CID 62278586

IUPAC1-(2-bromo-4-methoxyphenyl)-1-(5-chlorothiophen-2-yl)-N-methylmethanamine
SMILESCNC(c1ccc(Cl)s1)c1ccc(OC)cc1Br
InChIInChI=1S/C13H13BrClNOS/c1-16-13(11-5-6-12(15)18-11)9-4-3-8(17-2)7-10(9)14/h3-7,13,16H,1-2H3
InChIKeySKISTGZNQKHQAY-UHFFFAOYSA-N
MW346.68 g/mol
LogP4.48
Rot. Bonds4

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

1-(2-bromo-4-methoxyphenyl)-1-(5-chlorothiophen-2-yl)-N-methylmethanamine (PubChem CID 62278586) has the molecular formula C13H13BrClNOS and a molecular weight of 346.68 g/mol. Its IUPAC name is 1-(2-bromo-4-methoxyphenyl)-1-(5-chlorothiophen-2-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(2-bromo-4-methoxyphenyl)-1-(5-chlorothiophen-2-yl)-N-methylmethanamine
PubChem CID62278586
Molecular FormulaC13H13BrClNOS
Molecular Weight346.68 g/mol
Exact Mass344.96
IUPAC Name1-(2-bromo-4-methoxyphenyl)-1-(5-chlorothiophen-2-yl)-N-methylmethanamine
SMILESCNC(c1ccc(Cl)s1)c1ccc(OC)cc1Br
InChIInChI=1S/C13H13BrClNOS/c1-16-13(11-5-6-12(15)18-11)9-4-3-8(17-2)7-10(9)14/h3-7,13,16H,1-2H3
InChIKeySKISTGZNQKHQAY-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-methoxyphenyl)-1-(5-chlorothiophen-2-yl)-N-methylmethanamine
CID 61034062
1-(2-bromo-4-methoxyphenyl)-1-(4-chloro-2-fluorophenyl)-N-methylmethanamine
CID 60788480
(2-bromo-5-methoxyphenyl)-(5-chlorothiophen-2-yl)methanol
CID 105119649
5-bromo-6-[(5-chlorothiophen-2-yl)-(methylamino)methyl]-1,3-dihydrobenzimidazol-2-one
CID 62375563
1-(5-bromo-4-chlorothiophen-2-yl)-1-(2,4-dimethoxyphenyl)-N-methylmethanamine
CID 80531246
1-(2-bromo-4-chlorophenyl)-N-methyl-1-(5-methylthiophen-2-yl)methanamine
CID 114024428
N-[(2-chloro-4-methoxyphenyl)-(5-chlorothiophen-2-yl)methyl]propan-1-amine
CID 63503730
1-(5-bromofuran-2-yl)-1-(2-bromo-4-methoxyphenyl)-N-methylmethanamine
CID 60787977
1-(2-bromophenyl)-1-(2-chloro-4-methoxyphenyl)-N-methylmethanamine
CID 43561945
1-(2-bromo-4-ethoxyphenyl)-1-(4-methoxythiophen-2-yl)-N-methylmethanamine
CID 81121867
1-(2-bromo-4-methoxyphenyl)-1-(4-ethoxyphenyl)-N-methylmethanamine
CID 60786122
(5-chlorothiophen-2-yl)-(4-methoxy-2-methylphenyl)methanol
CID 62278042

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-4-methoxyphenyl)-1-(5-chlorothiophen-2-yl)-N-methylmethanamine?
The IUPAC name of 1-(2-bromo-4-methoxyphenyl)-1-(5-chlorothiophen-2-yl)-N-methylmethanamine (CID 62278586) is 1-(2-bromo-4-methoxyphenyl)-1-(5-chlorothiophen-2-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(2-bromo-4-methoxyphenyl)-1-(5-chlorothiophen-2-yl)-N-methylmethanamine?
The canonical SMILES for 1-(2-bromo-4-methoxyphenyl)-1-(5-chlorothiophen-2-yl)-N-methylmethanamine is CNC(c1ccc(Cl)s1)c1ccc(OC)cc1Br.
What is the InChIKey of 1-(2-bromo-4-methoxyphenyl)-1-(5-chlorothiophen-2-yl)-N-methylmethanamine?
The InChIKey is SKISTGZNQKHQAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrClNOS/c1-16-13(11-5-6-12(15)18-11)9-4-3-8(17-2)7-10(9)14/h3-7,13,16H,1-2H3.
What are the key properties of 1-(2-bromo-4-methoxyphenyl)-1-(5-chlorothiophen-2-yl)-N-methylmethanamine?
1-(2-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-(2-bromo-4-methoxyphenyl)-1-(5-chlorothiophen-2-yl)-N-methylmethanamine is sourced from PubChem (CID 62278586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).