2-(5-bromothiophen-2-yl)-N-ethyl-1-(4-methylphenyl)ethanamine

C15H18BrNS — CID 62600711

IUPAC2-(5-bromothiophen-2-yl)-N-ethyl-1-(4-methylphenyl)ethanamine
SMILESCCNC(Cc1ccc(Br)s1)c1ccc(C)cc1
InChIInChI=1S/C15H18BrNS/c1-3-17-14(10-13-8-9-15(16)18-13)12-6-4-11(2)5-7-12/h4-9,14,17H,3,10H2,1-2H3
InChIKeyLVFIRBPXWZFIKU-UHFFFAOYSA-N
MW324.29 g/mol
LogP4.71
Rot. Bonds5

About 2-(5-bromothiophen-2-yl)-N-ethyl-1-(4-methylphenyl)ethanamine

2-(5-bromothiophen-2-yl)-N-ethyl-1-(4-methylphenyl)ethanamine (PubChem CID 62600711) has the molecular formula C15H18BrNS and a molecular weight of 324.29 g/mol. Its IUPAC name is 2-(5-bromothiophen-2-yl)-N-ethyl-1-(4-methylphenyl)ethanamine.

Molecular Properties

Compound Name2-(5-bromothiophen-2-yl)-N-ethyl-1-(4-methylphenyl)ethanamine
PubChem CID62600711
Molecular FormulaC15H18BrNS
Molecular Weight324.29 g/mol
Exact Mass323.03
IUPAC Name2-(5-bromothiophen-2-yl)-N-ethyl-1-(4-methylphenyl)ethanamine
SMILESCCNC(Cc1ccc(Br)s1)c1ccc(C)cc1
InChIInChI=1S/C15H18BrNS/c1-3-17-14(10-13-8-9-15(16)18-13)12-6-4-11(2)5-7-12/h4-9,14,17H,3,10H2,1-2H3
InChIKeyLVFIRBPXWZFIKU-UHFFFAOYSA-N
XLogP4.71
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.29
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(5-bromothiophen-2-yl)-1-(3-chloro-4-methylphenyl)-N-ethylethanamine
CID 115841239
2-(5-bromothiophen-2-yl)-N-ethyl-1-thiophen-3-ylethanamine
CID 62602638
2-(5-bromothiophen-2-yl)-1-(4-methylphenyl)ethanamine
CID 62607190
2-(5-bromothiophen-2-yl)-1-(2-chloro-3-methylphenyl)-N-ethylethanamine
CID 115841070
N-[2-(5-bromothiophen-2-yl)-1-(4-methoxyphenyl)ethyl]propan-1-amine
CID 62605837
2-(5-bromothiophen-2-yl)-N-ethyl-1-quinolin-6-ylethanamine
CID 63097218
3-(5-bromothiophen-2-yl)-2-(4-methylphenyl)-N-propylpropan-1-amine
CID 79436176
N-ethyl-2-(5-ethylthiophen-2-yl)-1-(4-propan-2-ylphenyl)ethanamine
CID 63412218
[2-(5-bromothiophen-2-yl)-1-(4-ethylphenyl)ethyl]hydrazine
CID 105197265
2-(5-bromothiophen-2-yl)-1-(3-chlorothiophen-2-yl)-N-ethylethanamine
CID 115841258
2-(5-bromothiophen-2-yl)-1-(2,5-dichlorothiophen-3-yl)-N-ethylethanamine
CID 114022092
1-(3-bromo-5-methylphenyl)-N-ethyl-2-(5-ethylthiophen-2-yl)ethanamine
CID 115842312

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromothiophen-2-yl)-N-ethyl-1-(4-methylphenyl)ethanamine?
The IUPAC name of 2-(5-bromothiophen-2-yl)-N-ethyl-1-(4-methylphenyl)ethanamine (CID 62600711) is 2-(5-bromothiophen-2-yl)-N-ethyl-1-(4-methylphenyl)ethanamine.
What is the SMILES notation for 2-(5-bromothiophen-2-yl)-N-ethyl-1-(4-methylphenyl)ethanamine?
The canonical SMILES for 2-(5-bromothiophen-2-yl)-N-ethyl-1-(4-methylphenyl)ethanamine is CCNC(Cc1ccc(Br)s1)c1ccc(C)cc1.
What is the InChIKey of 2-(5-bromothiophen-2-yl)-N-ethyl-1-(4-methylphenyl)ethanamine?
The InChIKey is LVFIRBPXWZFIKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrNS/c1-3-17-14(10-13-8-9-15(16)18-13)12-6-4-11(2)5-7-12/h4-9,14,17H,3,10H2,1-2H3.
What are the key properties of 2-(5-bromothiophen-2-yl)-N-ethyl-1-(4-methylphenyl)ethanamine?
2-(5-bromothiophen-2-yl)-N-ethyl-1-(4-methylphenyl)ethanamine has a molecular weight of 324.29 g/mol, XLogP of 4.71, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromothiophen-2-yl)-N-ethyl-1-(4-methylphenyl)ethanamine is sourced from PubChem (CID 62600711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).