N-[(5-bromo-2-fluorophenyl)methyl]-1-(5-ethylthiophen-2-yl)ethanamine

C15H17BrFNS — CID 61335935

IUPACN-[(5-bromo-2-fluorophenyl)methyl]-1-(5-ethylthiophen-2-yl)ethanamine
SMILESCCc1ccc(C(C)NCc2cc(Br)ccc2F)s1
InChIInChI=1S/C15H17BrFNS/c1-3-13-5-7-15(19-13)10(2)18-9-11-8-12(16)4-6-14(11)17/h4-8,10,18H,3,9H2,1-2H3
InChIKeyCFRWDDCCZLJNDZ-UHFFFAOYSA-N
MW342.28 g/mol
LogP5.06
Rot. Bonds5

About N-[(5-bromo-2-fluorophenyl)methyl]-1-(5-ethylthiophen-2-yl)ethanamine

N-[(5-bromo-2-fluorophenyl)methyl]-1-(5-ethylthiophen-2-yl)ethanamine (PubChem CID 61335935) has the molecular formula C15H17BrFNS and a molecular weight of 342.28 g/mol. Its IUPAC name is N-[(5-bromo-2-fluorophenyl)methyl]-1-(5-ethylthiophen-2-yl)ethanamine.

Molecular Properties

Compound NameN-[(5-bromo-2-fluorophenyl)methyl]-1-(5-ethylthiophen-2-yl)ethanamine
PubChem CID61335935
Molecular FormulaC15H17BrFNS
Molecular Weight342.28 g/mol
Exact Mass341.02
IUPAC NameN-[(5-bromo-2-fluorophenyl)methyl]-1-(5-ethylthiophen-2-yl)ethanamine
SMILESCCc1ccc(C(C)NCc2cc(Br)ccc2F)s1
InChIInChI=1S/C15H17BrFNS/c1-3-13-5-7-15(19-13)10(2)18-9-11-8-12(16)4-6-14(11)17/h4-8,10,18H,3,9H2,1-2H3
InChIKeyCFRWDDCCZLJNDZ-UHFFFAOYSA-N
XLogP5.06
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.28
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(5-bromo-2-fluorophenyl)-1-(5-ethylthiophen-2-yl)ethyl]propan-1-amine
CID 115839298
1-(5-bromothiophen-2-yl)-N-[(2,5-difluorophenyl)methyl]ethanamine
CID 63794981
1-(5-bromo-2-fluorophenyl)-N-[(5-bromo-2-fluorophenyl)methyl]ethanamine
CID 82964766
3-bromo-N-[1-(5-ethylthiophen-2-yl)ethyl]-4-fluoroaniline
CID 104775686
N-[(5-bromo-2-fluorophenyl)methyl]-1-(2,4-dichlorophenyl)ethanamine
CID 43078406
1-(5-ethylthiophen-2-yl)-N-(naphthalen-1-ylmethyl)ethanamine
CID 62369422
N-[(5-bromo-2-fluorophenyl)methyl]-2-methyl-1-thiophen-2-ylpropan-1-amine
CID 43225947
1-(4-bromo-2-fluorophenyl)-1-(5-ethylthiophen-2-yl)-N-methylmethanamine
CID 43480749
N-[(5-bromo-2-fluorophenyl)methyl]-1-methylsulfanylpropan-2-amine
CID 115639897
4-bromo-N-[(5-bromo-2-fluorophenyl)methyl]butan-2-amine
CID 83186890
(4-bromo-2-fluorophenyl)-(5-ethylthiophen-2-yl)methanamine
CID 43198307
3-[(5-bromo-2-fluorophenyl)methylamino]-2-methylbutan-2-ol
CID 62816209

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromo-2-fluorophenyl)methyl]-1-(5-ethylthiophen-2-yl)ethanamine?
The IUPAC name of N-[(5-bromo-2-fluorophenyl)methyl]-1-(5-ethylthiophen-2-yl)ethanamine (CID 61335935) is N-[(5-bromo-2-fluorophenyl)methyl]-1-(5-ethylthiophen-2-yl)ethanamine.
What is the SMILES notation for N-[(5-bromo-2-fluorophenyl)methyl]-1-(5-ethylthiophen-2-yl)ethanamine?
The canonical SMILES for N-[(5-bromo-2-fluorophenyl)methyl]-1-(5-ethylthiophen-2-yl)ethanamine is CCc1ccc(C(C)NCc2cc(Br)ccc2F)s1.
What is the InChIKey of N-[(5-bromo-2-fluorophenyl)methyl]-1-(5-ethylthiophen-2-yl)ethanamine?
The InChIKey is CFRWDDCCZLJNDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrFNS/c1-3-13-5-7-15(19-13)10(2)18-9-11-8-12(16)4-6-14(11)17/h4-8,10,18H,3,9H2,1-2H3.
What are the key properties of N-[(5-bromo-2-fluorophenyl)methyl]-1-(5-ethylthiophen-2-yl)ethanamine?
N-[(5-bromo-2-fluorophenyl)methyl]-1-(5-ethylthiophen-2-yl)ethanamine has a molecular weight of 342.28 g/mol, XLogP of 5.06, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromo-2-fluorophenyl)methyl]-1-(5-ethylthiophen-2-yl)ethanamine is sourced from PubChem (CID 61335935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).