N-[(2-bromo-5-fluorophenyl)-(5-ethylthiophen-2-yl)methyl]ethanamine

C15H17BrFNS — CID 43488446

IUPACN-[(2-bromo-5-fluorophenyl)-(5-ethylthiophen-2-yl)methyl]ethanamine
SMILESCCNC(c1ccc(CC)s1)c1cc(F)ccc1Br
InChIInChI=1S/C15H17BrFNS/c1-3-11-6-8-14(19-11)15(18-4-2)12-9-10(17)5-7-13(12)16/h5-9,15,18H,3-4H2,1-2H3
InChIKeyAWFUCUJAAZYOKU-UHFFFAOYSA-N
MW342.28 g/mol
LogP4.91
Rot. Bonds5

About N-[(2-bromo-5-fluorophenyl)-(5-ethylthiophen-2-yl)methyl]ethanamine

N-[(2-bromo-5-fluorophenyl)-(5-ethylthiophen-2-yl)methyl]ethanamine (PubChem CID 43488446) has the molecular formula C15H17BrFNS and a molecular weight of 342.28 g/mol. Its IUPAC name is N-[(2-bromo-5-fluorophenyl)-(5-ethylthiophen-2-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(2-bromo-5-fluorophenyl)-(5-ethylthiophen-2-yl)methyl]ethanamine
PubChem CID43488446
Molecular FormulaC15H17BrFNS
Molecular Weight342.28 g/mol
Exact Mass341.02
IUPAC NameN-[(2-bromo-5-fluorophenyl)-(5-ethylthiophen-2-yl)methyl]ethanamine
SMILESCCNC(c1ccc(CC)s1)c1cc(F)ccc1Br
InChIInChI=1S/C15H17BrFNS/c1-3-11-6-8-14(19-11)15(18-4-2)12-9-10(17)5-7-13(12)16/h5-9,15,18H,3-4H2,1-2H3
InChIKeyAWFUCUJAAZYOKU-UHFFFAOYSA-N
XLogP4.91
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.28
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2-bromophenyl)-(5-ethylthiophen-2-yl)methyl]ethanamine
CID 43488450
N-[(2,5-dibromo-4-methylphenyl)-(5-ethylthiophen-2-yl)methyl]ethanamine
CID 81473406
N-[(3,5-difluorophenyl)-(5-ethylthiophen-2-yl)methyl]ethanamine
CID 43488408
1-(2-bromo-4-fluorophenyl)-1-(5-ethylthiophen-2-yl)-N-methylmethanamine
CID 43480821
N-[(2,3-difluoro-4-methylphenyl)-(5-ethylthiophen-2-yl)methyl]ethanamine
CID 107515354
N-[(2-bromo-5-fluorophenyl)-(5-fluoro-2-methylphenyl)methyl]ethanamine
CID 115851922
N-[(2-bromo-5-fluorophenyl)-(5-chlorothiophen-2-yl)methyl]propan-1-amine
CID 43497043
2-(2-bromo-4-fluorophenyl)-N-ethyl-1-(5-ethylthiophen-2-yl)ethanamine
CID 115843203
N-[(4-bromo-2-methoxyphenyl)-(5-ethylthiophen-2-yl)methyl]ethanamine
CID 115368910
N-[(2-bromo-5-fluorophenyl)-(2,5-dibromo-4-methylphenyl)methyl]ethanamine
CID 81472919
N-[(2-bromo-5-fluorophenyl)-(4-methoxyphenyl)methyl]ethanamine
CID 43489240
2-bromo-N-[1-(5-ethylthiophen-2-yl)ethyl]-5-fluoroaniline
CID 107633198

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromo-5-fluorophenyl)-(5-ethylthiophen-2-yl)methyl]ethanamine?
The IUPAC name of N-[(2-bromo-5-fluorophenyl)-(5-ethylthiophen-2-yl)methyl]ethanamine (CID 43488446) is N-[(2-bromo-5-fluorophenyl)-(5-ethylthiophen-2-yl)methyl]ethanamine.
What is the SMILES notation for N-[(2-bromo-5-fluorophenyl)-(5-ethylthiophen-2-yl)methyl]ethanamine?
The canonical SMILES for N-[(2-bromo-5-fluorophenyl)-(5-ethylthiophen-2-yl)methyl]ethanamine is CCNC(c1ccc(CC)s1)c1cc(F)ccc1Br.
What is the InChIKey of N-[(2-bromo-5-fluorophenyl)-(5-ethylthiophen-2-yl)methyl]ethanamine?
The InChIKey is AWFUCUJAAZYOKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrFNS/c1-3-11-6-8-14(19-11)15(18-4-2)12-9-10(17)5-7-13(12)16/h5-9,15,18H,3-4H2,1-2H3.
What are the key properties of N-[(2-bromo-5-fluorophenyl)-(5-ethylthiophen-2-yl)methyl]ethanamine?
N-[(2-bromo-5-fluorophenyl)-(5-ethylthiophen-2-yl)methyl]ethanamine has a molecular weight of 342.28 g/mol, XLogP of 4.91, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-bromo-5-fluorophenyl)-(5-ethylthiophen-2-yl)methyl]ethanamine is sourced from PubChem (CID 43488446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).