1-(3-bromo-5-methylthiophen-2-yl)-1-(2-ethoxyphenyl)-N-methylmethanamine

C15H18BrNOS — CID 65279831

IUPAC1-(3-bromo-5-methylthiophen-2-yl)-1-(2-ethoxyphenyl)-N-methylmethanamine
SMILESCCOc1ccccc1C(NC)c1sc(C)cc1Br
InChIInChI=1S/C15H18BrNOS/c1-4-18-13-8-6-5-7-11(13)14(17-3)15-12(16)9-10(2)19-15/h5-9,14,17H,4H2,1-3H3
InChIKeyGAWQPBCOQGVMQA-UHFFFAOYSA-N
MW340.29 g/mol
LogP4.53
Rot. Bonds5

About 1-(3-bromo-5-methylthiophen-2-yl)-1-(2-ethoxyphenyl)-N-methylmethanamine

1-(3-bromo-5-methylthiophen-2-yl)-1-(2-ethoxyphenyl)-N-methylmethanamine (PubChem CID 65279831) has the molecular formula C15H18BrNOS and a molecular weight of 340.29 g/mol. Its IUPAC name is 1-(3-bromo-5-methylthiophen-2-yl)-1-(2-ethoxyphenyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(3-bromo-5-methylthiophen-2-yl)-1-(2-ethoxyphenyl)-N-methylmethanamine
PubChem CID65279831
Molecular FormulaC15H18BrNOS
Molecular Weight340.29 g/mol
Exact Mass339.03
IUPAC Name1-(3-bromo-5-methylthiophen-2-yl)-1-(2-ethoxyphenyl)-N-methylmethanamine
SMILESCCOc1ccccc1C(NC)c1sc(C)cc1Br
InChIInChI=1S/C15H18BrNOS/c1-4-18-13-8-6-5-7-11(13)14(17-3)15-12(16)9-10(2)19-15/h5-9,14,17H,4H2,1-3H3
InChIKeyGAWQPBCOQGVMQA-UHFFFAOYSA-N
XLogP4.53
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.29
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-bromo-5-methylthiophen-2-yl)-1-(2-chlorophenyl)-N-methylmethanamine
CID 65279769
1-(3-bromo-5-methylthiophen-2-yl)-N-methyl-1-[2-(trifluoromethyl)phenyl]methanamine
CID 65279026
1-(2-ethoxyphenyl)-N-methyl-1-(5-methylthiophen-2-yl)methanamine
CID 43480464
N-[(3-bromo-5-methylthiophen-2-yl)-[2-(difluoromethoxy)phenyl]methyl]ethanamine
CID 65279517
1-(4-bromo-3-methylphenyl)-1-(2-ethoxyphenyl)-N-methylmethanamine
CID 115853693
1-(2-bromophenyl)-1-(3,5-dimethylthiophen-2-yl)-N-methylmethanamine
CID 81155894
1-(5-bromo-2-ethoxyphenyl)-1-(2-methoxyphenyl)-N-methylmethanamine
CID 43487355
1-(2-ethoxyphenyl)-1-(4-fluoro-3,5-dimethylphenyl)-N-methylmethanamine
CID 65298862
1-(2-ethoxyphenyl)-N-methyl-1-(5-methylfuran-3-yl)methanamine
CID 115853566
1-(5-bromo-2-fluorophenyl)-1-(3-bromo-5-methylthiophen-2-yl)-N-methylmethanamine
CID 65279234
1-(2-ethoxyphenyl)-N-methyl-1-(2-methylfuran-3-yl)methanamine
CID 104789858
1-(5-chloro-2-methylphenyl)-1-(2-ethoxyphenyl)-N-methylmethanamine
CID 115853667

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-5-methylthiophen-2-yl)-1-(2-ethoxyphenyl)-N-methylmethanamine?
The IUPAC name of 1-(3-bromo-5-methylthiophen-2-yl)-1-(2-ethoxyphenyl)-N-methylmethanamine (CID 65279831) is 1-(3-bromo-5-methylthiophen-2-yl)-1-(2-ethoxyphenyl)-N-methylmethanamine.
What is the SMILES notation for 1-(3-bromo-5-methylthiophen-2-yl)-1-(2-ethoxyphenyl)-N-methylmethanamine?
The canonical SMILES for 1-(3-bromo-5-methylthiophen-2-yl)-1-(2-ethoxyphenyl)-N-methylmethanamine is CCOc1ccccc1C(NC)c1sc(C)cc1Br.
What is the InChIKey of 1-(3-bromo-5-methylthiophen-2-yl)-1-(2-ethoxyphenyl)-N-methylmethanamine?
The InChIKey is GAWQPBCOQGVMQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrNOS/c1-4-18-13-8-6-5-7-11(13)14(17-3)15-12(16)9-10(2)19-15/h5-9,14,17H,4H2,1-3H3.
What are the key properties of 1-(3-bromo-5-methylthiophen-2-yl)-1-(2-ethoxyphenyl)-N-methylmethanamine?
1-(3-bromo-5-methylthiophen-2-yl)-1-(2-ethoxyphenyl)-N-methylmethanamine has a molecular weight of 340.29 g/mol, XLogP of 4.53, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-5-methylthiophen-2-yl)-1-(2-ethoxyphenyl)-N-methylmethanamine is sourced from PubChem (CID 65279831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).