2-(3-bromothiophen-2-yl)-1-[4-(difluoromethoxy)phenyl]-N-ethylethanamine

C15H16BrF2NOS — CID 115849054

IUPAC2-(3-bromothiophen-2-yl)-1-[4-(difluoromethoxy)phenyl]-N-ethylethanamine
SMILESCCNC(Cc1sccc1Br)c1ccc(OC(F)F)cc1
InChIInChI=1S/C15H16BrF2NOS/c1-2-19-13(9-14-12(16)7-8-21-14)10-3-5-11(6-4-10)20-15(17)18/h3-8,13,15,19H,2,9H2,1H3
InChIKeyRTEPYMDGFAAUHH-UHFFFAOYSA-N
MW376.27 g/mol
LogP5.01
Rot. Bonds7

About 2-(3-bromothiophen-2-yl)-1-[4-(difluoromethoxy)phenyl]-N-ethylethanamine

2-(3-bromothiophen-2-yl)-1-[4-(difluoromethoxy)phenyl]-N-ethylethanamine (PubChem CID 115849054) has the molecular formula C15H16BrF2NOS and a molecular weight of 376.27 g/mol. Its IUPAC name is 2-(3-bromothiophen-2-yl)-1-[4-(difluoromethoxy)phenyl]-N-ethylethanamine.

Molecular Properties

Compound Name2-(3-bromothiophen-2-yl)-1-[4-(difluoromethoxy)phenyl]-N-ethylethanamine
PubChem CID115849054
Molecular FormulaC15H16BrF2NOS
Molecular Weight376.27 g/mol
Exact Mass375.01
IUPAC Name2-(3-bromothiophen-2-yl)-1-[4-(difluoromethoxy)phenyl]-N-ethylethanamine
SMILESCCNC(Cc1sccc1Br)c1ccc(OC(F)F)cc1
InChIInChI=1S/C15H16BrF2NOS/c1-2-19-13(9-14-12(16)7-8-21-14)10-3-5-11(6-4-10)20-15(17)18/h3-8,13,15,19H,2,9H2,1H3
InChIKeyRTEPYMDGFAAUHH-UHFFFAOYSA-N
XLogP5.01
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.27
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-(3-bromothiophen-2-yl)-1-(ethylamino)ethyl]-N,N-dimethylaniline
CID 105139649
2-(3-bromothiophen-2-yl)-N-ethyl-1-naphthalen-2-ylethanamine
CID 63416626
N-[2-(3-bromothiophen-2-yl)-1-(4-fluorophenyl)ethyl]propan-1-amine
CID 63414681
2-(3-bromothiophen-2-yl)-N-ethyl-1-(2-fluoro-4-methoxyphenyl)ethanamine
CID 81305467
2-(3-bromothiophen-2-yl)-N-ethyl-1-(2-fluorophenyl)ethanamine
CID 63085065
2-(3-bromothiophen-2-yl)-N-ethyl-1-(6-methoxypyridazin-3-yl)ethanamine
CID 103374586
1-[4-(difluoromethoxy)phenyl]-N-ethyl-3-thiophen-2-ylpropan-1-amine
CID 115860987
1-[4-(difluoromethoxy)phenyl]-N-ethyl-2-(furan-2-yl)ethanamine
CID 105029421
1-(2-bromo-4-fluorophenyl)-2-(3-bromothiophen-2-yl)-N-ethylethanamine
CID 115848907
1-[4-(difluoromethoxy)phenyl]-N-ethyl-2-(1H-imidazol-2-yl)ethanamine
CID 43493333
N-[1-[4-(difluoromethoxy)phenyl]-2-thiophen-2-ylethyl]propan-1-amine
CID 61065695
N-[2-(3-bromothiophen-2-yl)-1-(3,4-difluorophenyl)ethyl]propan-1-amine
CID 63412597

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromothiophen-2-yl)-1-[4-(difluoromethoxy)phenyl]-N-ethylethanamine?
The IUPAC name of 2-(3-bromothiophen-2-yl)-1-[4-(difluoromethoxy)phenyl]-N-ethylethanamine (CID 115849054) is 2-(3-bromothiophen-2-yl)-1-[4-(difluoromethoxy)phenyl]-N-ethylethanamine.
What is the SMILES notation for 2-(3-bromothiophen-2-yl)-1-[4-(difluoromethoxy)phenyl]-N-ethylethanamine?
The canonical SMILES for 2-(3-bromothiophen-2-yl)-1-[4-(difluoromethoxy)phenyl]-N-ethylethanamine is CCNC(Cc1sccc1Br)c1ccc(OC(F)F)cc1.
What is the InChIKey of 2-(3-bromothiophen-2-yl)-1-[4-(difluoromethoxy)phenyl]-N-ethylethanamine?
The InChIKey is RTEPYMDGFAAUHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrF2NOS/c1-2-19-13(9-14-12(16)7-8-21-14)10-3-5-11(6-4-10)20-15(17)18/h3-8,13,15,19H,2,9H2,1H3.
What are the key properties of 2-(3-bromothiophen-2-yl)-1-[4-(difluoromethoxy)phenyl]-N-ethylethanamine?
2-(3-bromothiophen-2-yl)-1-[4-(difluoromethoxy)phenyl]-N-ethylethanamine has a molecular weight of 376.27 g/mol, XLogP of 5.01, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromothiophen-2-yl)-1-[4-(difluoromethoxy)phenyl]-N-ethylethanamine is sourced from PubChem (CID 115849054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).