2-(3-bromo-4-methoxyphenyl)-N-ethyl-1-(5-ethylthiophen-2-yl)ethanamine

C17H22BrNOS — CID 115818040

IUPAC2-(3-bromo-4-methoxyphenyl)-N-ethyl-1-(5-ethylthiophen-2-yl)ethanamine
SMILESCCNC(Cc1ccc(OC)c(Br)c1)c1ccc(CC)s1
InChIInChI=1S/C17H22BrNOS/c1-4-13-7-9-17(21-13)15(19-5-2)11-12-6-8-16(20-3)14(18)10-12/h6-10,15,19H,4-5,11H2,1-3H3
InChIKeyUOCUMLFQVPGEKG-UHFFFAOYSA-N
MW368.34 g/mol
LogP4.97
Rot. Bonds7

About 2-(3-bromo-4-methoxyphenyl)-N-ethyl-1-(5-ethylthiophen-2-yl)ethanamine

2-(3-bromo-4-methoxyphenyl)-N-ethyl-1-(5-ethylthiophen-2-yl)ethanamine (PubChem CID 115818040) has the molecular formula C17H22BrNOS and a molecular weight of 368.34 g/mol. Its IUPAC name is 2-(3-bromo-4-methoxyphenyl)-N-ethyl-1-(5-ethylthiophen-2-yl)ethanamine.

Molecular Properties

Compound Name2-(3-bromo-4-methoxyphenyl)-N-ethyl-1-(5-ethylthiophen-2-yl)ethanamine
PubChem CID115818040
Molecular FormulaC17H22BrNOS
Molecular Weight368.34 g/mol
Exact Mass367.06
IUPAC Name2-(3-bromo-4-methoxyphenyl)-N-ethyl-1-(5-ethylthiophen-2-yl)ethanamine
SMILESCCNC(Cc1ccc(OC)c(Br)c1)c1ccc(CC)s1
InChIInChI=1S/C17H22BrNOS/c1-4-13-7-9-17(21-13)15(19-5-2)11-12-6-8-16(20-3)14(18)10-12/h6-10,15,19H,4-5,11H2,1-3H3
InChIKeyUOCUMLFQVPGEKG-UHFFFAOYSA-N
XLogP4.97
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.34
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-bromofuran-2-yl)-2-(3-bromo-4-methoxyphenyl)-N-ethylethanamine
CID 115818150
2-(5-chloro-2-methoxyphenyl)-N-ethyl-1-(5-ethylthiophen-2-yl)ethanamine
CID 115844980
2-(3-bromo-4-methoxyphenyl)-1-(5-bromothiophen-3-yl)-N-ethylethanamine
CID 105110896
[2-(3-bromo-4-methoxyphenyl)-1-(5-bromothiophen-2-yl)ethyl]hydrazine
CID 105222004
2-[(3-bromo-4-methoxyphenyl)methyl]-5-ethylthiophene
CID 66608233
2-[bromo-(3-bromo-4-methoxyphenyl)methyl]-5-ethylthiophene
CID 63435339
(3-bromo-4-methoxyphenyl)-(5-ethylthiophen-2-yl)methanol
CID 61100007
1-(3-bromo-4-methoxyphenyl)-N-ethylhexan-2-amine
CID 79405562
2-(2-bromo-4-fluorophenyl)-N-ethyl-1-(5-ethylthiophen-2-yl)ethanamine
CID 115843203
2-(3-bromo-4-methoxyphenyl)-N-ethyl-1-(4-methyl-2-pyridinyl)ethanamine
CID 63840247
2-(3-bromo-4-methoxyphenyl)-N-ethyl-1-(1-methylpyrazol-4-yl)ethanamine
CID 65200344
1-(3-bromo-4-methoxyphenyl)-N-ethyl-3,3-dimethylpentan-2-amine
CID 115817955

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-4-methoxyphenyl)-N-ethyl-1-(5-ethylthiophen-2-yl)ethanamine?
The IUPAC name of 2-(3-bromo-4-methoxyphenyl)-N-ethyl-1-(5-ethylthiophen-2-yl)ethanamine (CID 115818040) is 2-(3-bromo-4-methoxyphenyl)-N-ethyl-1-(5-ethylthiophen-2-yl)ethanamine.
What is the SMILES notation for 2-(3-bromo-4-methoxyphenyl)-N-ethyl-1-(5-ethylthiophen-2-yl)ethanamine?
The canonical SMILES for 2-(3-bromo-4-methoxyphenyl)-N-ethyl-1-(5-ethylthiophen-2-yl)ethanamine is CCNC(Cc1ccc(OC)c(Br)c1)c1ccc(CC)s1.
What is the InChIKey of 2-(3-bromo-4-methoxyphenyl)-N-ethyl-1-(5-ethylthiophen-2-yl)ethanamine?
The InChIKey is UOCUMLFQVPGEKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22BrNOS/c1-4-13-7-9-17(21-13)15(19-5-2)11-12-6-8-16(20-3)14(18)10-12/h6-10,15,19H,4-5,11H2,1-3H3.
What are the key properties of 2-(3-bromo-4-methoxyphenyl)-N-ethyl-1-(5-ethylthiophen-2-yl)ethanamine?
2-(3-bromo-4-methoxyphenyl)-N-ethyl-1-(5-ethylthiophen-2-yl)ethanamine has a molecular weight of 368.34 g/mol, XLogP of 4.97, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-4-methoxyphenyl)-N-ethyl-1-(5-ethylthiophen-2-yl)ethanamine is sourced from PubChem (CID 115818040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).