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

C15H18BrNOS — CID 65237360

IUPAC1-(5-bromo-2-methoxyphenyl)-1-(4,5-dimethylthiophen-2-yl)-N-methylmethanamine
SMILESCNC(c1cc(C)c(C)s1)c1cc(Br)ccc1OC
InChIInChI=1S/C15H18BrNOS/c1-9-7-14(19-10(9)2)15(17-3)12-8-11(16)5-6-13(12)18-4/h5-8,15,17H,1-4H3
InChIKeyGTRGNAYCBCYWBH-UHFFFAOYSA-N
MW340.29 g/mol
LogP4.44
Rot. Bonds4

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

1-(5-bromo-2-methoxyphenyl)-1-(4,5-dimethylthiophen-2-yl)-N-methylmethanamine (PubChem CID 65237360) has the molecular formula C15H18BrNOS and a molecular weight of 340.29 g/mol. Its IUPAC name is 1-(5-bromo-2-methoxyphenyl)-1-(4,5-dimethylthiophen-2-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(5-bromo-2-methoxyphenyl)-1-(4,5-dimethylthiophen-2-yl)-N-methylmethanamine
PubChem CID65237360
Molecular FormulaC15H18BrNOS
Molecular Weight340.29 g/mol
Exact Mass339.03
IUPAC Name1-(5-bromo-2-methoxyphenyl)-1-(4,5-dimethylthiophen-2-yl)-N-methylmethanamine
SMILESCNC(c1cc(C)c(C)s1)c1cc(Br)ccc1OC
InChIInChI=1S/C15H18BrNOS/c1-9-7-14(19-10(9)2)15(17-3)12-8-11(16)5-6-13(12)18-4/h5-8,15,17H,1-4H3
InChIKeyGTRGNAYCBCYWBH-UHFFFAOYSA-N
XLogP4.44
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.29
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-bromo-5-methylthiophen-2-yl)-1-(2-methoxy-5-methylphenyl)-N-methylmethanamine
CID 102827361
1-(4-bromo-5-methylthiophen-2-yl)-1-(2-methoxyphenyl)-N-methylmethanamine
CID 102827334
1-(5-bromo-2-methoxyphenyl)-1-(3-methoxy-4-methylphenyl)-N-methylmethanamine
CID 43480055
1-(5-bromo-2-methoxyphenyl)-1-(2,5-dimethylphenyl)-N-methylmethanamine
CID 43480052
1-(5-bromo-2-chlorophenyl)-1-(5-bromo-2-methoxyphenyl)-N-methylmethanamine
CID 43480017
1-(5-bromo-2-methoxyphenyl)-1-(2-bromo-5-methylphenyl)-N-methylmethanamine
CID 81110564
1-(3-bromo-2-fluorophenyl)-1-(4,5-dimethylthiophen-2-yl)-N-methylmethanamine
CID 106647705
1-(4-bromo-2,5-dimethoxyphenyl)-1-(5-bromo-4-methylthiophen-2-yl)-N-methylmethanamine
CID 105056785
1-(4-bromo-5-chlorothiophen-2-yl)-1-(2-methoxy-5-methylphenyl)-N-methylmethanamine
CID 102828304
1-(5-bromo-2-methoxyphenyl)-N-methyl-1-(4-methyl-1,3-thiazol-2-yl)methanamine
CID 61332307
N-[(4,5-dimethylthiophen-2-yl)-(2-methoxy-5-methylphenyl)methyl]propan-1-amine
CID 65237138
1-(5-bromo-2-chlorophenyl)-1-(5-chloro-2-methoxyphenyl)-N-methylmethanamine
CID 104545863

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-methoxyphenyl)-1-(4,5-dimethylthiophen-2-yl)-N-methylmethanamine?
The IUPAC name of 1-(5-bromo-2-methoxyphenyl)-1-(4,5-dimethylthiophen-2-yl)-N-methylmethanamine (CID 65237360) is 1-(5-bromo-2-methoxyphenyl)-1-(4,5-dimethylthiophen-2-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(5-bromo-2-methoxyphenyl)-1-(4,5-dimethylthiophen-2-yl)-N-methylmethanamine?
The canonical SMILES for 1-(5-bromo-2-methoxyphenyl)-1-(4,5-dimethylthiophen-2-yl)-N-methylmethanamine is CNC(c1cc(C)c(C)s1)c1cc(Br)ccc1OC.
What is the InChIKey of 1-(5-bromo-2-methoxyphenyl)-1-(4,5-dimethylthiophen-2-yl)-N-methylmethanamine?
The InChIKey is GTRGNAYCBCYWBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrNOS/c1-9-7-14(19-10(9)2)15(17-3)12-8-11(16)5-6-13(12)18-4/h5-8,15,17H,1-4H3.
What are the key properties of 1-(5-bromo-2-methoxyphenyl)-1-(4,5-dimethylthiophen-2-yl)-N-methylmethanamine?
1-(5-bromo-2-methoxyphenyl)-1-(4,5-dimethylthiophen-2-yl)-N-methylmethanamine has a molecular weight of 340.29 g/mol, XLogP of 4.44, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2-methoxyphenyl)-1-(4,5-dimethylthiophen-2-yl)-N-methylmethanamine is sourced from PubChem (CID 65237360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).