N-[[4-[(3-bromothiophen-2-yl)methoxy]-3-fluorophenyl]methyl]ethanamine

C14H15BrFNOS — CID 107686976

IUPACN-[[4-[(3-bromothiophen-2-yl)methoxy]-3-fluorophenyl]methyl]ethanamine
SMILESCCNCc1ccc(OCc2sccc2Br)c(F)c1
InChIInChI=1S/C14H15BrFNOS/c1-2-17-8-10-3-4-13(12(16)7-10)18-9-14-11(15)5-6-19-14/h3-7,17H,2,8-9H2,1H3
InChIKeyGZUBKJUJJOEWTE-UHFFFAOYSA-N
MW344.25 g/mol
LogP4.34
Rot. Bonds6

About N-[[4-[(3-bromothiophen-2-yl)methoxy]-3-fluorophenyl]methyl]ethanamine

N-[[4-[(3-bromothiophen-2-yl)methoxy]-3-fluorophenyl]methyl]ethanamine (PubChem CID 107686976) has the molecular formula C14H15BrFNOS and a molecular weight of 344.25 g/mol. Its IUPAC name is N-[[4-[(3-bromothiophen-2-yl)methoxy]-3-fluorophenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[4-[(3-bromothiophen-2-yl)methoxy]-3-fluorophenyl]methyl]ethanamine
PubChem CID107686976
Molecular FormulaC14H15BrFNOS
Molecular Weight344.25 g/mol
Exact Mass343.00
IUPAC NameN-[[4-[(3-bromothiophen-2-yl)methoxy]-3-fluorophenyl]methyl]ethanamine
SMILESCCNCc1ccc(OCc2sccc2Br)c(F)c1
InChIInChI=1S/C14H15BrFNOS/c1-2-17-8-10-3-4-13(12(16)7-10)18-9-14-11(15)5-6-19-14/h3-7,17H,2,8-9H2,1H3
InChIKeyGZUBKJUJJOEWTE-UHFFFAOYSA-N
XLogP4.34
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.25
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[4-[(3-bromothiophen-2-yl)methoxy]-3-fluorophenyl]methyl]ethanamine with MolForge

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Related Compounds

N-[[3-fluoro-4-[(4-methyl-1,3-thiazol-2-yl)methoxy]phenyl]methyl]ethanamine
CID 107687047
N-[[4-[(4-chlorophenyl)methoxy]-3-fluorophenyl]methyl]ethanamine
CID 107686830
N-[[4-[(3,5-dimethylphenyl)methoxy]-3-fluorophenyl]methyl]ethanamine
CID 107686901
N-[[3-fluoro-4-[(2-propyl-1,3-thiazol-4-yl)methoxy]phenyl]methyl]ethanamine
CID 107687012
N-[[4-[(2,5-difluorophenyl)methoxy]-3-fluorophenyl]methyl]ethanamine
CID 107686817
N-[[4-[(2,4-difluorophenyl)methoxy]-3-fluorophenyl]methyl]ethanamine
CID 71052508
N-[[3-fluoro-4-(2-thiophen-2-ylethoxy)phenyl]methyl]ethanamine
CID 107686825
N-[[3-bromo-4-[(4-fluorophenyl)methoxy]phenyl]methyl]ethanamine
CID 63046886
4-[(3-bromothiophen-2-yl)methoxy]-3-fluorobenzenecarbothioamide
CID 107665954
N-[[4-[(2,4-difluorophenoxy)methyl]phenyl]methyl]ethanamine
CID 62450377
N-[[3-fluoro-4-[(6-methyl-2-pyridinyl)methoxy]phenyl]methyl]ethanamine
CID 107686985
N-[[4-(4-bromo-2,5-dichlorophenoxy)-3-fluorophenyl]methyl]ethanamine
CID 107659542

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(3-bromothiophen-2-yl)methoxy]-3-fluorophenyl]methyl]ethanamine?
The IUPAC name of N-[[4-[(3-bromothiophen-2-yl)methoxy]-3-fluorophenyl]methyl]ethanamine (CID 107686976) is N-[[4-[(3-bromothiophen-2-yl)methoxy]-3-fluorophenyl]methyl]ethanamine.
What is the SMILES notation for N-[[4-[(3-bromothiophen-2-yl)methoxy]-3-fluorophenyl]methyl]ethanamine?
The canonical SMILES for N-[[4-[(3-bromothiophen-2-yl)methoxy]-3-fluorophenyl]methyl]ethanamine is CCNCc1ccc(OCc2sccc2Br)c(F)c1.
What is the InChIKey of N-[[4-[(3-bromothiophen-2-yl)methoxy]-3-fluorophenyl]methyl]ethanamine?
The InChIKey is GZUBKJUJJOEWTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrFNOS/c1-2-17-8-10-3-4-13(12(16)7-10)18-9-14-11(15)5-6-19-14/h3-7,17H,2,8-9H2,1H3.
What are the key properties of N-[[4-[(3-bromothiophen-2-yl)methoxy]-3-fluorophenyl]methyl]ethanamine?
N-[[4-[(3-bromothiophen-2-yl)methoxy]-3-fluorophenyl]methyl]ethanamine has a molecular weight of 344.25 g/mol, XLogP of 4.34, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(3-bromothiophen-2-yl)methoxy]-3-fluorophenyl]methyl]ethanamine is sourced from PubChem (CID 107686976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).