2-(3-bromophenyl)-N-ethyl-1-(4-methoxythiophen-2-yl)ethanamine

C15H18BrNOS — CID 81122653

IUPAC2-(3-bromophenyl)-N-ethyl-1-(4-methoxythiophen-2-yl)ethanamine
SMILESCCNC(Cc1cccc(Br)c1)c1cc(OC)cs1
InChIInChI=1S/C15H18BrNOS/c1-3-17-14(15-9-13(18-2)10-19-15)8-11-5-4-6-12(16)7-11/h4-7,9-10,14,17H,3,8H2,1-2H3
InChIKeyYPMBGFVBCLEOQQ-UHFFFAOYSA-N
MW340.29 g/mol
LogP4.41
Rot. Bonds6

About 2-(3-bromophenyl)-N-ethyl-1-(4-methoxythiophen-2-yl)ethanamine

2-(3-bromophenyl)-N-ethyl-1-(4-methoxythiophen-2-yl)ethanamine (PubChem CID 81122653) has the molecular formula C15H18BrNOS and a molecular weight of 340.29 g/mol. Its IUPAC name is 2-(3-bromophenyl)-N-ethyl-1-(4-methoxythiophen-2-yl)ethanamine.

Molecular Properties

Compound Name2-(3-bromophenyl)-N-ethyl-1-(4-methoxythiophen-2-yl)ethanamine
PubChem CID81122653
Molecular FormulaC15H18BrNOS
Molecular Weight340.29 g/mol
Exact Mass339.03
IUPAC Name2-(3-bromophenyl)-N-ethyl-1-(4-methoxythiophen-2-yl)ethanamine
SMILESCCNC(Cc1cccc(Br)c1)c1cc(OC)cs1
InChIInChI=1S/C15H18BrNOS/c1-3-17-14(15-9-13(18-2)10-19-15)8-11-5-4-6-12(16)7-11/h4-7,9-10,14,17H,3,8H2,1-2H3
InChIKeyYPMBGFVBCLEOQQ-UHFFFAOYSA-N
XLogP4.41
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.29
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-bromophenyl)-N-ethyl-1-thiophen-2-ylethanamine
CID 60818969
1-(5-bromothiophen-3-yl)-N-ethyl-2-(3-methoxyphenyl)ethanamine
CID 105133699
1-(3-bromophenyl)-N-ethyl-3-(4-methoxyphenyl)propan-2-amine
CID 61372893
2-(2-bromo-5-methoxyphenyl)-1-(4-bromothiophen-2-yl)-N-ethylethanamine
CID 65325618
2-(3-bromophenyl)-N-ethyl-1-(4-methoxy-3-methylphenyl)ethanamine
CID 63503341
1-(3-bromo-4-methoxyphenyl)-2-(3-bromophenyl)-N-ethylethanamine
CID 63509459
2-(2,4-dichlorophenyl)-N-ethyl-1-(4-methoxythiophen-2-yl)ethanamine
CID 115840276
1-(4-bromo-2-methylphenyl)-N-ethyl-2-(3-methoxyphenyl)ethanamine
CID 63527401
N-ethyl-2-(3-methoxyphenyl)-1-(4-methylthiophen-3-yl)ethanamine
CID 79802298
1-(5-bromo-2-chlorophenyl)-N-ethyl-2-(3-methoxyphenyl)ethanamine
CID 63527751
N-ethyl-1-(4-methoxythiophen-2-yl)but-3-en-1-amine
CID 115815103
2-(3-bromophenyl)-1-(2,5-dibromophenyl)-N-ethylethanamine
CID 63508792

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)-N-ethyl-1-(4-methoxythiophen-2-yl)ethanamine?
The IUPAC name of 2-(3-bromophenyl)-N-ethyl-1-(4-methoxythiophen-2-yl)ethanamine (CID 81122653) is 2-(3-bromophenyl)-N-ethyl-1-(4-methoxythiophen-2-yl)ethanamine.
What is the SMILES notation for 2-(3-bromophenyl)-N-ethyl-1-(4-methoxythiophen-2-yl)ethanamine?
The canonical SMILES for 2-(3-bromophenyl)-N-ethyl-1-(4-methoxythiophen-2-yl)ethanamine is CCNC(Cc1cccc(Br)c1)c1cc(OC)cs1.
What is the InChIKey of 2-(3-bromophenyl)-N-ethyl-1-(4-methoxythiophen-2-yl)ethanamine?
The InChIKey is YPMBGFVBCLEOQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrNOS/c1-3-17-14(15-9-13(18-2)10-19-15)8-11-5-4-6-12(16)7-11/h4-7,9-10,14,17H,3,8H2,1-2H3.
What are the key properties of 2-(3-bromophenyl)-N-ethyl-1-(4-methoxythiophen-2-yl)ethanamine?
2-(3-bromophenyl)-N-ethyl-1-(4-methoxythiophen-2-yl)ethanamine has a molecular weight of 340.29 g/mol, XLogP of 4.41, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenyl)-N-ethyl-1-(4-methoxythiophen-2-yl)ethanamine is sourced from PubChem (CID 81122653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).