N-[[2-[(4-bromothiophen-2-yl)methoxy]-5-fluorophenyl]methyl]ethanamine

C14H15BrFNOS — CID 107695728

IUPACN-[[2-[(4-bromothiophen-2-yl)methoxy]-5-fluorophenyl]methyl]ethanamine
SMILESCCNCc1cc(F)ccc1OCc1cc(Br)cs1
InChIInChI=1S/C14H15BrFNOS/c1-2-17-7-10-5-12(16)3-4-14(10)18-8-13-6-11(15)9-19-13/h3-6,9,17H,2,7-8H2,1H3
InChIKeyFTGCAYJPNZKLBP-UHFFFAOYSA-N
MW344.25 g/mol
LogP4.34
Rot. Bonds6

About N-[[2-[(4-bromothiophen-2-yl)methoxy]-5-fluorophenyl]methyl]ethanamine

N-[[2-[(4-bromothiophen-2-yl)methoxy]-5-fluorophenyl]methyl]ethanamine (PubChem CID 107695728) has the molecular formula C14H15BrFNOS and a molecular weight of 344.25 g/mol. Its IUPAC name is N-[[2-[(4-bromothiophen-2-yl)methoxy]-5-fluorophenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-[(4-bromothiophen-2-yl)methoxy]-5-fluorophenyl]methyl]ethanamine
PubChem CID107695728
Molecular FormulaC14H15BrFNOS
Molecular Weight344.25 g/mol
Exact Mass343.00
IUPAC NameN-[[2-[(4-bromothiophen-2-yl)methoxy]-5-fluorophenyl]methyl]ethanamine
SMILESCCNCc1cc(F)ccc1OCc1cc(Br)cs1
InChIInChI=1S/C14H15BrFNOS/c1-2-17-7-10-5-12(16)3-4-14(10)18-8-13-6-11(15)9-19-13/h3-6,9,17H,2,7-8H2,1H3
InChIKeyFTGCAYJPNZKLBP-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

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Related Compounds

N-[[2-[(4-bromothiophen-2-yl)methoxy]-5-fluorophenyl]methyl]cyclopropanamine
CID 107696476
N-[[5-fluoro-2-[(4-methyl-1,3-thiazol-2-yl)methoxy]phenyl]methyl]ethanamine
CID 107695622
N-[[2-[(2,6-dichlorophenyl)methoxy]-5-fluorophenyl]methyl]ethanamine
CID 107695682
N-[[5-bromo-2-(thiophen-2-ylmethoxy)phenyl]methyl]ethanamine
CID 60882928
N-[[3-bromo-2-[(4-bromothiophen-2-yl)methoxy]phenyl]methyl]ethanamine
CID 63498834
N-[[2-[(2,6-dimethylphenyl)methoxy]-5-fluorophenyl]methyl]ethanamine
CID 107695600
N-[[2-[(3,4-difluorophenyl)methoxy]-5-fluorophenyl]methyl]ethanamine
CID 107695461
N-[[2-(4-bromophenoxy)-5-fluorophenyl]methyl]ethanamine
CID 43314185
N-[[5-bromo-2-[(4-bromothiophen-2-yl)methoxy]-3-methylphenyl]methyl]ethanamine
CID 115961197
N-[[2-[(2-bromo-4-fluorophenoxy)methyl]phenyl]methyl]ethanamine
CID 62451825
N-[[2-[(5-ethylthiophen-2-yl)methoxy]-5-fluorophenyl]methyl]propan-1-amine
CID 107695898
N-[[2-[(4-bromothiophen-2-yl)methoxy]-5-methylphenyl]methyl]propan-2-amine
CID 63486928

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(4-bromothiophen-2-yl)methoxy]-5-fluorophenyl]methyl]ethanamine?
The IUPAC name of N-[[2-[(4-bromothiophen-2-yl)methoxy]-5-fluorophenyl]methyl]ethanamine (CID 107695728) is N-[[2-[(4-bromothiophen-2-yl)methoxy]-5-fluorophenyl]methyl]ethanamine.
What is the SMILES notation for N-[[2-[(4-bromothiophen-2-yl)methoxy]-5-fluorophenyl]methyl]ethanamine?
The canonical SMILES for N-[[2-[(4-bromothiophen-2-yl)methoxy]-5-fluorophenyl]methyl]ethanamine is CCNCc1cc(F)ccc1OCc1cc(Br)cs1.
What is the InChIKey of N-[[2-[(4-bromothiophen-2-yl)methoxy]-5-fluorophenyl]methyl]ethanamine?
The InChIKey is FTGCAYJPNZKLBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrFNOS/c1-2-17-7-10-5-12(16)3-4-14(10)18-8-13-6-11(15)9-19-13/h3-6,9,17H,2,7-8H2,1H3.
What are the key properties of N-[[2-[(4-bromothiophen-2-yl)methoxy]-5-fluorophenyl]methyl]ethanamine?
N-[[2-[(4-bromothiophen-2-yl)methoxy]-5-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-[[2-[(4-bromothiophen-2-yl)methoxy]-5-fluorophenyl]methyl]ethanamine is sourced from PubChem (CID 107695728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).