1-(3-bromo-4-ethoxyphenyl)-N-methyl-1-(3-methylthiophen-2-yl)methanamine

C15H18BrNOS — CID 104657472

IUPAC1-(3-bromo-4-ethoxyphenyl)-N-methyl-1-(3-methylthiophen-2-yl)methanamine
SMILESCCOc1ccc(C(NC)c2sccc2C)cc1Br
InChIInChI=1S/C15H18BrNOS/c1-4-18-13-6-5-11(9-12(13)16)14(17-3)15-10(2)7-8-19-15/h5-9,14,17H,4H2,1-3H3
InChIKeyZASNQGKPBFBHGI-UHFFFAOYSA-N
MW340.29 g/mol
LogP4.53
Rot. Bonds5

About 1-(3-bromo-4-ethoxyphenyl)-N-methyl-1-(3-methylthiophen-2-yl)methanamine

1-(3-bromo-4-ethoxyphenyl)-N-methyl-1-(3-methylthiophen-2-yl)methanamine (PubChem CID 104657472) has the molecular formula C15H18BrNOS and a molecular weight of 340.29 g/mol. Its IUPAC name is 1-(3-bromo-4-ethoxyphenyl)-N-methyl-1-(3-methylthiophen-2-yl)methanamine.

Molecular Properties

Compound Name1-(3-bromo-4-ethoxyphenyl)-N-methyl-1-(3-methylthiophen-2-yl)methanamine
PubChem CID104657472
Molecular FormulaC15H18BrNOS
Molecular Weight340.29 g/mol
Exact Mass339.03
IUPAC Name1-(3-bromo-4-ethoxyphenyl)-N-methyl-1-(3-methylthiophen-2-yl)methanamine
SMILESCCOc1ccc(C(NC)c2sccc2C)cc1Br
InChIInChI=1S/C15H18BrNOS/c1-4-18-13-6-5-11(9-12(13)16)14(17-3)15-10(2)7-8-19-15/h5-9,14,17H,4H2,1-3H3
InChIKeyZASNQGKPBFBHGI-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-4-ethoxyphenyl)-1-(5-bromo-4-methylthiophen-2-yl)-N-methylmethanamine
CID 104657467
1-(3-ethoxyphenyl)-N-methyl-1-(3-methylthiophen-2-yl)methanamine
CID 79989016
1-(3-bromo-4-ethoxyphenyl)-1-(3,5-dibromophenyl)-N-methylmethanamine
CID 107979922
1-(3-bromo-4-ethoxyphenyl)-N-methyl-1-(3-methylfuran-2-yl)methanamine
CID 104657492
N-[(3-bromo-4-ethoxyphenyl)-(3-chlorothiophen-2-yl)methyl]propan-1-amine
CID 104657711
1-(3-bromo-4-ethoxyphenyl)-1-(4-bromo-3-fluorophenyl)-N-methylmethanamine
CID 104657518
1-(3-bromo-4-ethoxyphenyl)-1-(5-chlorothiophen-2-yl)-N-methylmethanamine
CID 104657513
1-(3-bromo-4-ethoxyphenyl)-1-(2,5-dichlorothiophen-3-yl)-N-methylmethanamine
CID 107961340
2-[bromo-(3-bromo-4-ethoxyphenyl)methyl]-3-ethylthiophene
CID 104661842
1-(3-bromo-4-ethoxyphenyl)-1-(4-chloro-2-fluorophenyl)-N-methylmethanamine
CID 104657460
1-(4-tert-butylphenyl)-N-methyl-1-(3-methylthiophen-2-yl)methanamine
CID 43484390
N-methyl-1-(3-methylthiophen-2-yl)-1-(4-propan-2-yloxyphenyl)methanamine
CID 43485510

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-4-ethoxyphenyl)-N-methyl-1-(3-methylthiophen-2-yl)methanamine?
The IUPAC name of 1-(3-bromo-4-ethoxyphenyl)-N-methyl-1-(3-methylthiophen-2-yl)methanamine (CID 104657472) is 1-(3-bromo-4-ethoxyphenyl)-N-methyl-1-(3-methylthiophen-2-yl)methanamine.
What is the SMILES notation for 1-(3-bromo-4-ethoxyphenyl)-N-methyl-1-(3-methylthiophen-2-yl)methanamine?
The canonical SMILES for 1-(3-bromo-4-ethoxyphenyl)-N-methyl-1-(3-methylthiophen-2-yl)methanamine is CCOc1ccc(C(NC)c2sccc2C)cc1Br.
What is the InChIKey of 1-(3-bromo-4-ethoxyphenyl)-N-methyl-1-(3-methylthiophen-2-yl)methanamine?
The InChIKey is ZASNQGKPBFBHGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrNOS/c1-4-18-13-6-5-11(9-12(13)16)14(17-3)15-10(2)7-8-19-15/h5-9,14,17H,4H2,1-3H3.
What are the key properties of 1-(3-bromo-4-ethoxyphenyl)-N-methyl-1-(3-methylthiophen-2-yl)methanamine?
1-(3-bromo-4-ethoxyphenyl)-N-methyl-1-(3-methylthiophen-2-yl)methanamine 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-4-ethoxyphenyl)-N-methyl-1-(3-methylthiophen-2-yl)methanamine is sourced from PubChem (CID 104657472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).