1-(3-bromothiophen-2-yl)-N-ethyl-2-methoxy-2-phenylethanamine

C15H18BrNOS — CID 116773064

IUPAC1-(3-bromothiophen-2-yl)-N-ethyl-2-methoxy-2-phenylethanamine
SMILESCCNC(c1sccc1Br)C(OC)c1ccccc1
InChIInChI=1S/C15H18BrNOS/c1-3-17-13(15-12(16)9-10-19-15)14(18-2)11-7-5-4-6-8-11/h4-10,13-14,17H,3H2,1-2H3
InChIKeyXVULPBYQFLXXHI-UHFFFAOYSA-N
MW340.29 g/mol
LogP4.55
Rot. Bonds6

About 1-(3-bromothiophen-2-yl)-N-ethyl-2-methoxy-2-phenylethanamine

1-(3-bromothiophen-2-yl)-N-ethyl-2-methoxy-2-phenylethanamine (PubChem CID 116773064) has the molecular formula C15H18BrNOS and a molecular weight of 340.29 g/mol. Its IUPAC name is 1-(3-bromothiophen-2-yl)-N-ethyl-2-methoxy-2-phenylethanamine.

Molecular Properties

Compound Name1-(3-bromothiophen-2-yl)-N-ethyl-2-methoxy-2-phenylethanamine
PubChem CID116773064
Molecular FormulaC15H18BrNOS
Molecular Weight340.29 g/mol
Exact Mass339.03
IUPAC Name1-(3-bromothiophen-2-yl)-N-ethyl-2-methoxy-2-phenylethanamine
SMILESCCNC(c1sccc1Br)C(OC)c1ccccc1
InChIInChI=1S/C15H18BrNOS/c1-3-17-13(15-12(16)9-10-19-15)14(18-2)11-7-5-4-6-8-11/h4-10,13-14,17H,3H2,1-2H3
InChIKeyXVULPBYQFLXXHI-UHFFFAOYSA-N
XLogP4.55
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 ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-bromothiophen-2-yl)-N-ethyl-2-phenylbutan-1-amine
CID 80535854
1-(3-bromothiophen-2-yl)-N-methyl-2-phenylbutan-1-amine
CID 80534954
1-(3-bromothiophen-2-yl)-N,3-dimethyl-2-phenylpentan-1-amine
CID 80534878
N-ethyl-2-methoxy-1-(5-methylthiophen-2-yl)-2-phenylethanamine
CID 116773182
1-(4-bromo-1-ethylpyrazol-5-yl)-N-ethyl-2-methoxy-2-phenylethanamine
CID 114662155
N-ethyl-1-(2-fluorophenyl)-2-methoxy-2-phenylethanamine
CID 116773160
N-ethyl-2-methoxy-1-(1-methylpyrazol-4-yl)-2-phenylethanamine
CID 116773030
1-(3,4-difluorophenyl)-N-ethyl-2-methoxy-2-phenylethanamine
CID 116773143
[1-(3-chlorothiophen-2-yl)-2-methoxy-2-phenylethyl]hydrazine
CID 107362207
N-ethyl-2-methoxy-2-phenyl-1-(1-propylpyrazol-4-yl)ethanamine
CID 116773141
1-(3-bromothiophen-2-yl)-N-ethyl-3-methoxy-3-methylbutan-1-amine
CID 103028722
N-ethyl-2-methoxy-1-(4-methyl-3-pyridinyl)-2-phenylethanamine
CID 116773113

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromothiophen-2-yl)-N-ethyl-2-methoxy-2-phenylethanamine?
The IUPAC name of 1-(3-bromothiophen-2-yl)-N-ethyl-2-methoxy-2-phenylethanamine (CID 116773064) is 1-(3-bromothiophen-2-yl)-N-ethyl-2-methoxy-2-phenylethanamine.
What is the SMILES notation for 1-(3-bromothiophen-2-yl)-N-ethyl-2-methoxy-2-phenylethanamine?
The canonical SMILES for 1-(3-bromothiophen-2-yl)-N-ethyl-2-methoxy-2-phenylethanamine is CCNC(c1sccc1Br)C(OC)c1ccccc1.
What is the InChIKey of 1-(3-bromothiophen-2-yl)-N-ethyl-2-methoxy-2-phenylethanamine?
The InChIKey is XVULPBYQFLXXHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrNOS/c1-3-17-13(15-12(16)9-10-19-15)14(18-2)11-7-5-4-6-8-11/h4-10,13-14,17H,3H2,1-2H3.
What are the key properties of 1-(3-bromothiophen-2-yl)-N-ethyl-2-methoxy-2-phenylethanamine?
1-(3-bromothiophen-2-yl)-N-ethyl-2-methoxy-2-phenylethanamine has a molecular weight of 340.29 g/mol, XLogP of 4.55, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromothiophen-2-yl)-N-ethyl-2-methoxy-2-phenylethanamine is sourced from PubChem (CID 116773064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).