1-(3-bromo-4-fluorophenyl)-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]ethanamine

C16H19BrFNS — CID 43789444

IUPAC1-(3-bromo-4-fluorophenyl)-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]ethanamine
SMILESCc1cc(C(C)NC(C)c2ccc(F)c(Br)c2)c(C)s1
InChIInChI=1S/C16H19BrFNS/c1-9-7-14(12(4)20-9)11(3)19-10(2)13-5-6-16(18)15(17)8-13/h5-8,10-11,19H,1-4H3
InChIKeyHYUOFPIHEJHMIK-UHFFFAOYSA-N
MW356.30 g/mol
LogP5.68
Rot. Bonds4

About 1-(3-bromo-4-fluorophenyl)-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]ethanamine

1-(3-bromo-4-fluorophenyl)-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]ethanamine (PubChem CID 43789444) has the molecular formula C16H19BrFNS and a molecular weight of 356.30 g/mol. Its IUPAC name is 1-(3-bromo-4-fluorophenyl)-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]ethanamine.

Molecular Properties

Compound Name1-(3-bromo-4-fluorophenyl)-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]ethanamine
PubChem CID43789444
Molecular FormulaC16H19BrFNS
Molecular Weight356.30 g/mol
Exact Mass355.04
IUPAC Name1-(3-bromo-4-fluorophenyl)-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]ethanamine
SMILESCc1cc(C(C)NC(C)c2ccc(F)c(Br)c2)c(C)s1
InChIInChI=1S/C16H19BrFNS/c1-9-7-14(12(4)20-9)11(3)19-10(2)13-5-6-16(18)15(17)8-13/h5-8,10-11,19H,1-4H3
InChIKeyHYUOFPIHEJHMIK-UHFFFAOYSA-N
XLogP5.68
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.30
LogP ≤ 55.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-1-(3-fluorophenyl)ethanamine
CID 81367633
N-[1-(3-bromo-4-fluorophenyl)ethyl]-1-phenylethanamine
CID 43755957
N-[1-(2,5-dimethylthiophen-3-yl)ethyl]propan-2-amine
CID 43200633
(2S)-2-[1-(3-bromo-4-fluorophenyl)ethylamino]propan-1-ol
CID 103788936
2-[1-(3-bromo-4-fluorophenyl)ethylamino]propane-1,3-diol
CID 65315700
N-[1-(3-bromo-4-fluorophenyl)ethyl]-1-(3-methoxyphenyl)ethanamine
CID 60944542
1-(4-bromo-2-chlorophenyl)-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]ethanamine
CID 82774817
1-(3-bromo-4-fluorophenyl)-N-[(1R)-1-(furan-2-yl)ethyl]ethanamine
CID 81403303
4-bromo-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-2-fluoroaniline
CID 43111824
1-(3-bromo-4-fluorophenyl)-N-(1-pyridin-3-ylethyl)ethanamine
CID 43768152
2-N-[1-(3-bromo-4-fluorophenyl)ethyl]-1-N,1-N-dimethylpropane-1,2-diamine
CID 82945400
3-[1-(3-bromo-4-fluorophenyl)ethylamino]butan-1-ol
CID 81339647

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-4-fluorophenyl)-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]ethanamine?
The IUPAC name of 1-(3-bromo-4-fluorophenyl)-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]ethanamine (CID 43789444) is 1-(3-bromo-4-fluorophenyl)-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]ethanamine.
What is the SMILES notation for 1-(3-bromo-4-fluorophenyl)-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]ethanamine?
The canonical SMILES for 1-(3-bromo-4-fluorophenyl)-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]ethanamine is Cc1cc(C(C)NC(C)c2ccc(F)c(Br)c2)c(C)s1.
What is the InChIKey of 1-(3-bromo-4-fluorophenyl)-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]ethanamine?
The InChIKey is HYUOFPIHEJHMIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BrFNS/c1-9-7-14(12(4)20-9)11(3)19-10(2)13-5-6-16(18)15(17)8-13/h5-8,10-11,19H,1-4H3.
What are the key properties of 1-(3-bromo-4-fluorophenyl)-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]ethanamine?
1-(3-bromo-4-fluorophenyl)-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]ethanamine has a molecular weight of 356.30 g/mol, XLogP of 5.68, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-4-fluorophenyl)-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]ethanamine is sourced from PubChem (CID 43789444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).