2-(3-bromothiophen-2-yl)-1-(2-tert-butylphenyl)-N-ethylethanamine

C18H24BrNS — CID 115849010

IUPAC2-(3-bromothiophen-2-yl)-1-(2-tert-butylphenyl)-N-ethylethanamine
SMILESCCNC(Cc1sccc1Br)c1ccccc1C(C)(C)C
InChIInChI=1S/C18H24BrNS/c1-5-20-16(12-17-15(19)10-11-21-17)13-8-6-7-9-14(13)18(2,3)4/h6-11,16,20H,5,12H2,1-4H3
InChIKeyZZAZCSONAFETIH-UHFFFAOYSA-N
MW366.37 g/mol
LogP5.70
Rot. Bonds5

About 2-(3-bromothiophen-2-yl)-1-(2-tert-butylphenyl)-N-ethylethanamine

2-(3-bromothiophen-2-yl)-1-(2-tert-butylphenyl)-N-ethylethanamine (PubChem CID 115849010) has the molecular formula C18H24BrNS and a molecular weight of 366.37 g/mol. Its IUPAC name is 2-(3-bromothiophen-2-yl)-1-(2-tert-butylphenyl)-N-ethylethanamine.

Molecular Properties

Compound Name2-(3-bromothiophen-2-yl)-1-(2-tert-butylphenyl)-N-ethylethanamine
PubChem CID115849010
Molecular FormulaC18H24BrNS
Molecular Weight366.37 g/mol
Exact Mass365.08
IUPAC Name2-(3-bromothiophen-2-yl)-1-(2-tert-butylphenyl)-N-ethylethanamine
SMILESCCNC(Cc1sccc1Br)c1ccccc1C(C)(C)C
InChIInChI=1S/C18H24BrNS/c1-5-20-16(12-17-15(19)10-11-21-17)13-8-6-7-9-14(13)18(2,3)4/h6-11,16,20H,5,12H2,1-4H3
InChIKeyZZAZCSONAFETIH-UHFFFAOYSA-N
XLogP5.70
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.37
LogP ≤ 55.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-bromothiophen-2-yl)-N-ethyl-1-(2-fluorophenyl)ethanamine
CID 63085065
2-(3-bromothiophen-2-yl)-1-(3-chloro-2-methylphenyl)-N-ethylethanamine
CID 107102242
2-(3-bromothiophen-2-yl)-N-ethyl-1-(2-methylfuran-3-yl)ethanamine
CID 104790287
1-(2-tert-butylphenyl)-N-ethyl-2-(4-methyl-1,3-thiazol-2-yl)ethanamine
CID 105019330
2-(3-bromothiophen-2-yl)-1-(2,5-dimethylphenyl)-N-ethylethanamine
CID 115849156
1-(2-bromo-4-fluorophenyl)-2-(3-bromothiophen-2-yl)-N-ethylethanamine
CID 115848907
2-(3-bromothiophen-2-yl)-N-ethyl-1-naphthalen-2-ylethanamine
CID 63416626
2-(3-bromothiophen-2-yl)-1-(5-chloro-2-methoxyphenyl)-N-ethylethanamine
CID 115849041
4-[2-(3-bromothiophen-2-yl)-1-(ethylamino)ethyl]-N,N-dimethylaniline
CID 105139649
2-(3-bromothiophen-2-yl)-N-ethyl-1-(3-methyl-2-pyridinyl)ethanamine
CID 62605765
2-(3-bromothiophen-2-yl)-N-ethyl-1-(2-fluoro-4-methoxyphenyl)ethanamine
CID 81305467
1-(2-tert-butylphenyl)-N-ethylethanamine
CID 115765369

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromothiophen-2-yl)-1-(2-tert-butylphenyl)-N-ethylethanamine?
The IUPAC name of 2-(3-bromothiophen-2-yl)-1-(2-tert-butylphenyl)-N-ethylethanamine (CID 115849010) is 2-(3-bromothiophen-2-yl)-1-(2-tert-butylphenyl)-N-ethylethanamine.
What is the SMILES notation for 2-(3-bromothiophen-2-yl)-1-(2-tert-butylphenyl)-N-ethylethanamine?
The canonical SMILES for 2-(3-bromothiophen-2-yl)-1-(2-tert-butylphenyl)-N-ethylethanamine is CCNC(Cc1sccc1Br)c1ccccc1C(C)(C)C.
What is the InChIKey of 2-(3-bromothiophen-2-yl)-1-(2-tert-butylphenyl)-N-ethylethanamine?
The InChIKey is ZZAZCSONAFETIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24BrNS/c1-5-20-16(12-17-15(19)10-11-21-17)13-8-6-7-9-14(13)18(2,3)4/h6-11,16,20H,5,12H2,1-4H3.
What are the key properties of 2-(3-bromothiophen-2-yl)-1-(2-tert-butylphenyl)-N-ethylethanamine?
2-(3-bromothiophen-2-yl)-1-(2-tert-butylphenyl)-N-ethylethanamine has a molecular weight of 366.37 g/mol, XLogP of 5.70, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromothiophen-2-yl)-1-(2-tert-butylphenyl)-N-ethylethanamine is sourced from PubChem (CID 115849010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).