N-[(3-bromo-5-fluorophenyl)-thiophen-2-ylmethyl]ethanamine

C13H13BrFNS — CID 43490530

IUPACN-[(3-bromo-5-fluorophenyl)-thiophen-2-ylmethyl]ethanamine
SMILESCCNC(c1cc(F)cc(Br)c1)c1cccs1
InChIInChI=1S/C13H13BrFNS/c1-2-16-13(12-4-3-5-17-12)9-6-10(14)8-11(15)7-9/h3-8,13,16H,2H2,1H3
InChIKeyMWQZKUGODVTETO-UHFFFAOYSA-N
MW314.22 g/mol
LogP4.35
Rot. Bonds4

About N-[(3-bromo-5-fluorophenyl)-thiophen-2-ylmethyl]ethanamine

N-[(3-bromo-5-fluorophenyl)-thiophen-2-ylmethyl]ethanamine (PubChem CID 43490530) has the molecular formula C13H13BrFNS and a molecular weight of 314.22 g/mol. Its IUPAC name is N-[(3-bromo-5-fluorophenyl)-thiophen-2-ylmethyl]ethanamine.

Molecular Properties

Compound NameN-[(3-bromo-5-fluorophenyl)-thiophen-2-ylmethyl]ethanamine
PubChem CID43490530
Molecular FormulaC13H13BrFNS
Molecular Weight314.22 g/mol
Exact Mass312.99
IUPAC NameN-[(3-bromo-5-fluorophenyl)-thiophen-2-ylmethyl]ethanamine
SMILESCCNC(c1cc(F)cc(Br)c1)c1cccs1
InChIInChI=1S/C13H13BrFNS/c1-2-16-13(12-4-3-5-17-12)9-6-10(14)8-11(15)7-9/h3-8,13,16H,2H2,1H3
InChIKeyMWQZKUGODVTETO-UHFFFAOYSA-N
XLogP4.35
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.22
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3-bromo-5-fluorophenyl)-(3-fluorophenyl)methyl]ethanamine
CID 66423459
N-[(4-fluoro-2,6-dimethylphenyl)-thiophen-2-ylmethyl]ethanamine
CID 106878086
(R)-(3-bromo-5-fluorophenyl)-thiophen-2-ylmethanamine;hydrochloride
CID 171223526
N-[(2,4-difluorophenyl)-thiophen-2-ylmethyl]ethanamine
CID 43490583
N-[1-benzofuran-2-yl-(3-bromo-5-fluorophenyl)methyl]ethanamine
CID 114729461
N-[(5-methylthiophen-3-yl)-thiophen-2-ylmethyl]ethanamine
CID 65104955
N-[(3-bromo-5-fluorophenyl)methyl]-1-thiophen-2-ylpropan-1-amine
CID 79710933
N-[2,3-dihydro-1H-inden-5-yl(thiophen-2-yl)methyl]ethanamine
CID 43416858
N-[(4-propylphenyl)-thiophen-2-ylmethyl]ethanamine
CID 43393768
N-[(2-fluorophenyl)-thiophen-2-ylmethyl]ethanamine
CID 43490593
N-[(4-phenylphenyl)-thiophen-2-ylmethyl]ethanamine
CID 43489570
N-[(3-bromo-5-fluorophenyl)-(5-ethylthiophen-2-yl)methyl]propan-1-amine
CID 43494301

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromo-5-fluorophenyl)-thiophen-2-ylmethyl]ethanamine?
The IUPAC name of N-[(3-bromo-5-fluorophenyl)-thiophen-2-ylmethyl]ethanamine (CID 43490530) is N-[(3-bromo-5-fluorophenyl)-thiophen-2-ylmethyl]ethanamine.
What is the SMILES notation for N-[(3-bromo-5-fluorophenyl)-thiophen-2-ylmethyl]ethanamine?
The canonical SMILES for N-[(3-bromo-5-fluorophenyl)-thiophen-2-ylmethyl]ethanamine is CCNC(c1cc(F)cc(Br)c1)c1cccs1.
What is the InChIKey of N-[(3-bromo-5-fluorophenyl)-thiophen-2-ylmethyl]ethanamine?
The InChIKey is MWQZKUGODVTETO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrFNS/c1-2-16-13(12-4-3-5-17-12)9-6-10(14)8-11(15)7-9/h3-8,13,16H,2H2,1H3.
What are the key properties of N-[(3-bromo-5-fluorophenyl)-thiophen-2-ylmethyl]ethanamine?
N-[(3-bromo-5-fluorophenyl)-thiophen-2-ylmethyl]ethanamine has a molecular weight of 314.22 g/mol, XLogP of 4.35, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromo-5-fluorophenyl)-thiophen-2-ylmethyl]ethanamine is sourced from PubChem (CID 43490530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).