1-(5-bromothiophen-3-yl)-N-ethyl-2-(3-methoxyphenyl)ethanamine

C15H18BrNOS — CID 105133699

IUPAC1-(5-bromothiophen-3-yl)-N-ethyl-2-(3-methoxyphenyl)ethanamine
SMILESCCNC(Cc1cccc(OC)c1)c1csc(Br)c1
InChIInChI=1S/C15H18BrNOS/c1-3-17-14(12-9-15(16)19-10-12)8-11-5-4-6-13(7-11)18-2/h4-7,9-10,14,17H,3,8H2,1-2H3
InChIKeySQKRJXWTBFHCGD-UHFFFAOYSA-N
MW340.29 g/mol
LogP4.41
Rot. Bonds6

About 1-(5-bromothiophen-3-yl)-N-ethyl-2-(3-methoxyphenyl)ethanamine

1-(5-bromothiophen-3-yl)-N-ethyl-2-(3-methoxyphenyl)ethanamine (PubChem CID 105133699) has the molecular formula C15H18BrNOS and a molecular weight of 340.29 g/mol. Its IUPAC name is 1-(5-bromothiophen-3-yl)-N-ethyl-2-(3-methoxyphenyl)ethanamine.

Molecular Properties

Compound Name1-(5-bromothiophen-3-yl)-N-ethyl-2-(3-methoxyphenyl)ethanamine
PubChem CID105133699
Molecular FormulaC15H18BrNOS
Molecular Weight340.29 g/mol
Exact Mass339.03
IUPAC Name1-(5-bromothiophen-3-yl)-N-ethyl-2-(3-methoxyphenyl)ethanamine
SMILESCCNC(Cc1cccc(OC)c1)c1csc(Br)c1
InChIInChI=1S/C15H18BrNOS/c1-3-17-14(12-9-15(16)19-10-12)8-11-5-4-6-13(7-11)18-2/h4-7,9-10,14,17H,3,8H2,1-2H3
InChIKeySQKRJXWTBFHCGD-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

1-(5-bromothiophen-3-yl)-N-ethyl-2-(3-fluorophenyl)ethanamine
CID 105095783
N-ethyl-2-(3-methoxyphenyl)-1-thiophen-3-ylethanamine
CID 61065390
2-(3-bromo-4-methoxyphenyl)-1-(5-bromothiophen-3-yl)-N-ethylethanamine
CID 105110896
1-(3-bromo-5-chlorophenyl)-N-ethyl-2-(3-methoxyphenyl)ethanamine
CID 107945442
2-(4-bromophenyl)-1-(5-bromothiophen-3-yl)-N-ethylethanamine
CID 105089055
1-(2,6-dimethyl-4-pyridinyl)-N-ethyl-2-(3-methoxyphenyl)ethanamine
CID 107503839
N-ethyl-1-(3-methoxyphenyl)-2-(3-methylphenyl)ethanamine
CID 60797782
N-ethyl-2-(3-methoxyphenyl)-1-(4-methylthiophen-3-yl)ethanamine
CID 79802298
2-(3-bromophenyl)-N-ethyl-1-(4-methoxythiophen-2-yl)ethanamine
CID 81122653
1-(4-bromo-2-methylphenyl)-N-ethyl-2-(3-methoxyphenyl)ethanamine
CID 63527401
1-(3-chloro-5-methylphenyl)-N-ethyl-2-(3-methoxyphenyl)ethanamine
CID 81316183
1-(5-bromo-2-chlorophenyl)-N-ethyl-2-(3-methoxyphenyl)ethanamine
CID 63527751

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromothiophen-3-yl)-N-ethyl-2-(3-methoxyphenyl)ethanamine?
The IUPAC name of 1-(5-bromothiophen-3-yl)-N-ethyl-2-(3-methoxyphenyl)ethanamine (CID 105133699) is 1-(5-bromothiophen-3-yl)-N-ethyl-2-(3-methoxyphenyl)ethanamine.
What is the SMILES notation for 1-(5-bromothiophen-3-yl)-N-ethyl-2-(3-methoxyphenyl)ethanamine?
The canonical SMILES for 1-(5-bromothiophen-3-yl)-N-ethyl-2-(3-methoxyphenyl)ethanamine is CCNC(Cc1cccc(OC)c1)c1csc(Br)c1.
What is the InChIKey of 1-(5-bromothiophen-3-yl)-N-ethyl-2-(3-methoxyphenyl)ethanamine?
The InChIKey is SQKRJXWTBFHCGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrNOS/c1-3-17-14(12-9-15(16)19-10-12)8-11-5-4-6-13(7-11)18-2/h4-7,9-10,14,17H,3,8H2,1-2H3.
What are the key properties of 1-(5-bromothiophen-3-yl)-N-ethyl-2-(3-methoxyphenyl)ethanamine?
1-(5-bromothiophen-3-yl)-N-ethyl-2-(3-methoxyphenyl)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 1-(5-bromothiophen-3-yl)-N-ethyl-2-(3-methoxyphenyl)ethanamine is sourced from PubChem (CID 105133699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).