1-(3-bromothiophen-2-yl)-N-ethyl-2-(4-propan-2-ylphenyl)ethanamine

C17H22BrNS — CID 115844263

IUPAC1-(3-bromothiophen-2-yl)-N-ethyl-2-(4-propan-2-ylphenyl)ethanamine
SMILESCCNC(Cc1ccc(C(C)C)cc1)c1sccc1Br
InChIInChI=1S/C17H22BrNS/c1-4-19-16(17-15(18)9-10-20-17)11-13-5-7-14(8-6-13)12(2)3/h5-10,12,16,19H,4,11H2,1-3H3
InChIKeyPLRLKACFWYPABO-UHFFFAOYSA-N
MW352.34 g/mol
LogP5.53
Rot. Bonds6

About 1-(3-bromothiophen-2-yl)-N-ethyl-2-(4-propan-2-ylphenyl)ethanamine

1-(3-bromothiophen-2-yl)-N-ethyl-2-(4-propan-2-ylphenyl)ethanamine (PubChem CID 115844263) has the molecular formula C17H22BrNS and a molecular weight of 352.34 g/mol. Its IUPAC name is 1-(3-bromothiophen-2-yl)-N-ethyl-2-(4-propan-2-ylphenyl)ethanamine.

Molecular Properties

Compound Name1-(3-bromothiophen-2-yl)-N-ethyl-2-(4-propan-2-ylphenyl)ethanamine
PubChem CID115844263
Molecular FormulaC17H22BrNS
Molecular Weight352.34 g/mol
Exact Mass351.07
IUPAC Name1-(3-bromothiophen-2-yl)-N-ethyl-2-(4-propan-2-ylphenyl)ethanamine
SMILESCCNC(Cc1ccc(C(C)C)cc1)c1sccc1Br
InChIInChI=1S/C17H22BrNS/c1-4-19-16(17-15(18)9-10-20-17)11-13-5-7-14(8-6-13)12(2)3/h5-10,12,16,19H,4,11H2,1-3H3
InChIKeyPLRLKACFWYPABO-UHFFFAOYSA-N
XLogP5.53
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.34
LogP ≤ 55.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-bromophenyl)-1-(3-bromothiophen-2-yl)-N-ethylethanamine
CID 63797423
1-(3-bromothiophen-2-yl)-N-ethyl-2-(4-methoxyphenyl)ethanamine
CID 55239729
N-ethyl-2-(4-propan-2-ylphenyl)-1-thiophen-2-ylethanamine
CID 55095629
1-(3-bromothiophen-2-yl)-N-ethyl-2-(3-fluoro-4-methoxyphenyl)ethanamine
CID 115829741
N-[1-(3-methylthiophen-2-yl)-2-(4-propan-2-ylphenyl)ethyl]propan-1-amine
CID 115844177
1-(3-bromothiophen-2-yl)-N-ethyl-2-(2,4,6-trimethylphenyl)ethanamine
CID 115828971
N-ethyl-1-(4-iodophenyl)-2-(4-propan-2-ylphenyl)ethanamine
CID 115844176
1-(3-bromothiophen-2-yl)-N-ethylundecan-1-amine
CID 115845930
1-(3-bromothiophen-2-yl)-N-ethyl-2-(4-fluoro-2-methylphenyl)ethanamine
CID 105051140
1-(3-bromothiophen-2-yl)-N-ethyl-3-methoxy-3-methylbutan-1-amine
CID 103028722
2-(4-bromo-1,3-diethylpyrazol-5-yl)-1-(3-bromothiophen-2-yl)-N-ethylethanamine
CID 105002408
N-[1-(3-bromothiophen-2-yl)-2-thiophen-3-ylethyl]propan-1-amine
CID 63798477

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromothiophen-2-yl)-N-ethyl-2-(4-propan-2-ylphenyl)ethanamine?
The IUPAC name of 1-(3-bromothiophen-2-yl)-N-ethyl-2-(4-propan-2-ylphenyl)ethanamine (CID 115844263) is 1-(3-bromothiophen-2-yl)-N-ethyl-2-(4-propan-2-ylphenyl)ethanamine.
What is the SMILES notation for 1-(3-bromothiophen-2-yl)-N-ethyl-2-(4-propan-2-ylphenyl)ethanamine?
The canonical SMILES for 1-(3-bromothiophen-2-yl)-N-ethyl-2-(4-propan-2-ylphenyl)ethanamine is CCNC(Cc1ccc(C(C)C)cc1)c1sccc1Br.
What is the InChIKey of 1-(3-bromothiophen-2-yl)-N-ethyl-2-(4-propan-2-ylphenyl)ethanamine?
The InChIKey is PLRLKACFWYPABO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22BrNS/c1-4-19-16(17-15(18)9-10-20-17)11-13-5-7-14(8-6-13)12(2)3/h5-10,12,16,19H,4,11H2,1-3H3.
What are the key properties of 1-(3-bromothiophen-2-yl)-N-ethyl-2-(4-propan-2-ylphenyl)ethanamine?
1-(3-bromothiophen-2-yl)-N-ethyl-2-(4-propan-2-ylphenyl)ethanamine has a molecular weight of 352.34 g/mol, XLogP of 5.53, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromothiophen-2-yl)-N-ethyl-2-(4-propan-2-ylphenyl)ethanamine is sourced from PubChem (CID 115844263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).