N-[2-(5-bromo-2-fluorophenyl)-1-thiophen-3-ylethyl]propan-1-amine

C15H17BrFNS — CID 63412592

IUPACN-[2-(5-bromo-2-fluorophenyl)-1-thiophen-3-ylethyl]propan-1-amine
SMILESCCCNC(Cc1cc(Br)ccc1F)c1ccsc1
InChIInChI=1S/C15H17BrFNS/c1-2-6-18-15(11-5-7-19-10-11)9-12-8-13(16)3-4-14(12)17/h3-5,7-8,10,15,18H,2,6,9H2,1H3
InChIKeyAKKWISKVRDDZMF-UHFFFAOYSA-N
MW342.28 g/mol
LogP4.93
Rot. Bonds6

About N-[2-(5-bromo-2-fluorophenyl)-1-thiophen-3-ylethyl]propan-1-amine

N-[2-(5-bromo-2-fluorophenyl)-1-thiophen-3-ylethyl]propan-1-amine (PubChem CID 63412592) has the molecular formula C15H17BrFNS and a molecular weight of 342.28 g/mol. Its IUPAC name is N-[2-(5-bromo-2-fluorophenyl)-1-thiophen-3-ylethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-(5-bromo-2-fluorophenyl)-1-thiophen-3-ylethyl]propan-1-amine
PubChem CID63412592
Molecular FormulaC15H17BrFNS
Molecular Weight342.28 g/mol
Exact Mass341.02
IUPAC NameN-[2-(5-bromo-2-fluorophenyl)-1-thiophen-3-ylethyl]propan-1-amine
SMILESCCCNC(Cc1cc(Br)ccc1F)c1ccsc1
InChIInChI=1S/C15H17BrFNS/c1-2-6-18-15(11-5-7-19-10-11)9-12-8-13(16)3-4-14(12)17/h3-5,7-8,10,15,18H,2,6,9H2,1H3
InChIKeyAKKWISKVRDDZMF-UHFFFAOYSA-N
XLogP4.93
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.28
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(5-bromo-2-fluorophenyl)-N-ethyl-1-thiophen-3-ylethanamine
CID 55095689
N-[2-(5-bromo-2-fluorophenyl)-1-pyridin-4-ylethyl]propan-1-amine
CID 62601872
2-(4-bromo-2-fluorophenyl)-N-ethyl-1-thiophen-3-ylethanamine
CID 55095736
N-[2-(2,3-difluorophenyl)-1-thiophen-3-ylethyl]propan-1-amine
CID 55095017
N-[2-(3-bromophenyl)-1-thiophen-3-ylethyl]propan-1-amine
CID 60820051
N-[2-(5-bromo-2-fluorophenyl)-1-(5-ethylthiophen-2-yl)ethyl]propan-1-amine
CID 115839298
N-[1-(3-bromophenyl)-2-(5-chloro-2-fluorophenyl)ethyl]propan-1-amine
CID 103048462
N-[2-(5-bromo-2-fluorophenyl)-1-(2,5-dichlorothiophen-3-yl)ethyl]propan-1-amine
CID 107968094
N-[2-(5-bromo-2-fluorophenyl)-1-(4-methylthiadiazol-5-yl)ethyl]propan-1-amine
CID 105132035
2-(5-bromo-2-fluorophenyl)-1-(5-bromothiophen-3-yl)-N-ethylethanamine
CID 105131858
N-[2-(5-bromo-2-fluorophenyl)-1-(2,5-dimethylfuran-3-yl)ethyl]propan-1-amine
CID 115839286
N-[2-(3-bromothiophen-2-yl)-1-thiophen-3-ylethyl]propan-1-amine
CID 62602066

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-bromo-2-fluorophenyl)-1-thiophen-3-ylethyl]propan-1-amine?
The IUPAC name of N-[2-(5-bromo-2-fluorophenyl)-1-thiophen-3-ylethyl]propan-1-amine (CID 63412592) is N-[2-(5-bromo-2-fluorophenyl)-1-thiophen-3-ylethyl]propan-1-amine.
What is the SMILES notation for N-[2-(5-bromo-2-fluorophenyl)-1-thiophen-3-ylethyl]propan-1-amine?
The canonical SMILES for N-[2-(5-bromo-2-fluorophenyl)-1-thiophen-3-ylethyl]propan-1-amine is CCCNC(Cc1cc(Br)ccc1F)c1ccsc1.
What is the InChIKey of N-[2-(5-bromo-2-fluorophenyl)-1-thiophen-3-ylethyl]propan-1-amine?
The InChIKey is AKKWISKVRDDZMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrFNS/c1-2-6-18-15(11-5-7-19-10-11)9-12-8-13(16)3-4-14(12)17/h3-5,7-8,10,15,18H,2,6,9H2,1H3.
What are the key properties of N-[2-(5-bromo-2-fluorophenyl)-1-thiophen-3-ylethyl]propan-1-amine?
N-[2-(5-bromo-2-fluorophenyl)-1-thiophen-3-ylethyl]propan-1-amine has a molecular weight of 342.28 g/mol, XLogP of 4.93, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-bromo-2-fluorophenyl)-1-thiophen-3-ylethyl]propan-1-amine is sourced from PubChem (CID 63412592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).