N-[1-(2,5-dibromothiophen-3-yl)-2-(2,5-difluorophenyl)ethyl]propan-1-amine

C15H15Br2F2NS — CID 107967979

IUPACN-[1-(2,5-dibromothiophen-3-yl)-2-(2,5-difluorophenyl)ethyl]propan-1-amine
SMILESCCCNC(Cc1cc(F)ccc1F)c1cc(Br)sc1Br
InChIInChI=1S/C15H15Br2F2NS/c1-2-5-20-13(11-8-14(16)21-15(11)17)7-9-6-10(18)3-4-12(9)19/h3-4,6,8,13,20H,2,5,7H2,1H3
InChIKeyRLJJGAOAEPDLPJ-UHFFFAOYSA-N
MW439.16 g/mol
LogP5.83
Rot. Bonds6

About N-[1-(2,5-dibromothiophen-3-yl)-2-(2,5-difluorophenyl)ethyl]propan-1-amine

N-[1-(2,5-dibromothiophen-3-yl)-2-(2,5-difluorophenyl)ethyl]propan-1-amine (PubChem CID 107967979) has the molecular formula C15H15Br2F2NS and a molecular weight of 439.16 g/mol. Its IUPAC name is N-[1-(2,5-dibromothiophen-3-yl)-2-(2,5-difluorophenyl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-(2,5-dibromothiophen-3-yl)-2-(2,5-difluorophenyl)ethyl]propan-1-amine
PubChem CID107967979
Molecular FormulaC15H15Br2F2NS
Molecular Weight439.16 g/mol
Exact Mass436.93
IUPAC NameN-[1-(2,5-dibromothiophen-3-yl)-2-(2,5-difluorophenyl)ethyl]propan-1-amine
SMILESCCCNC(Cc1cc(F)ccc1F)c1cc(Br)sc1Br
InChIInChI=1S/C15H15Br2F2NS/c1-2-5-20-13(11-8-14(16)21-15(11)17)7-9-6-10(18)3-4-12(9)19/h3-4,6,8,13,20H,2,5,7H2,1H3
InChIKeyRLJJGAOAEPDLPJ-UHFFFAOYSA-N
XLogP5.83
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.16
LogP ≤ 55.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(4-chloro-2-fluorophenyl)-1-(2,5-dibromothiophen-3-yl)ethyl]propan-1-amine
CID 107969331
N-[1-(2,5-dibromothiophen-3-yl)-2-(4-fluorophenyl)ethyl]propan-1-amine
CID 43497902
N-[2-(2-bromo-3-fluorophenyl)-1-(2,5-dibromothiophen-3-yl)ethyl]propan-1-amine
CID 107968822
N-[1-(2,5-dibromothiophen-3-yl)-2-(3,5-difluorophenyl)ethyl]propan-1-amine
CID 107969351
N-[1-(5-bromo-4-methylthiophen-2-yl)-2-(2,5-difluorophenyl)ethyl]propan-1-amine
CID 115809466
N-[1-(2,5-dibromothiophen-3-yl)-2-phenylethyl]propan-1-amine
CID 43497935
N-[1-(2-bromo-4-fluorophenyl)-2-(5-bromothiophen-2-yl)ethyl]propan-1-amine
CID 115840822
N-[(2,5-dibromothiophen-3-yl)-(5-fluoro-2-methylphenyl)methyl]propan-1-amine
CID 63504406
N-[2-(2,5-difluorophenyl)-1-(1,3-dimethylpyrazol-4-yl)ethyl]propan-1-amine
CID 102803077
[1-(2,5-dibromothiophen-3-yl)-2-(2,4-difluorophenyl)ethyl]hydrazine
CID 107970134
N-[2-(5-bromo-2-fluorophenyl)-1-(2,5-dichlorothiophen-3-yl)ethyl]propan-1-amine
CID 107968094
[1-(2,5-dibromothiophen-3-yl)-2-(4-fluoro-2-methylphenyl)ethyl]hydrazine
CID 114022387

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,5-dibromothiophen-3-yl)-2-(2,5-difluorophenyl)ethyl]propan-1-amine?
The IUPAC name of N-[1-(2,5-dibromothiophen-3-yl)-2-(2,5-difluorophenyl)ethyl]propan-1-amine (CID 107967979) is N-[1-(2,5-dibromothiophen-3-yl)-2-(2,5-difluorophenyl)ethyl]propan-1-amine.
What is the SMILES notation for N-[1-(2,5-dibromothiophen-3-yl)-2-(2,5-difluorophenyl)ethyl]propan-1-amine?
The canonical SMILES for N-[1-(2,5-dibromothiophen-3-yl)-2-(2,5-difluorophenyl)ethyl]propan-1-amine is CCCNC(Cc1cc(F)ccc1F)c1cc(Br)sc1Br.
What is the InChIKey of N-[1-(2,5-dibromothiophen-3-yl)-2-(2,5-difluorophenyl)ethyl]propan-1-amine?
The InChIKey is RLJJGAOAEPDLPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Br2F2NS/c1-2-5-20-13(11-8-14(16)21-15(11)17)7-9-6-10(18)3-4-12(9)19/h3-4,6,8,13,20H,2,5,7H2,1H3.
What are the key properties of N-[1-(2,5-dibromothiophen-3-yl)-2-(2,5-difluorophenyl)ethyl]propan-1-amine?
N-[1-(2,5-dibromothiophen-3-yl)-2-(2,5-difluorophenyl)ethyl]propan-1-amine has a molecular weight of 439.16 g/mol, XLogP of 5.83, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,5-dibromothiophen-3-yl)-2-(2,5-difluorophenyl)ethyl]propan-1-amine is sourced from PubChem (CID 107967979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).