[5-[(4-bromo-2-fluorophenoxy)methyl]thiophen-2-yl]methanamine

C12H11BrFNOS — CID 107558707

IUPAC[5-[(4-bromo-2-fluorophenoxy)methyl]thiophen-2-yl]methanamine
SMILESNCc1ccc(COc2ccc(Br)cc2F)s1
InChIInChI=1S/C12H11BrFNOS/c13-8-1-4-12(11(14)5-8)16-7-10-3-2-9(6-15)17-10/h1-5H,6-7,15H2
InChIKeyQPXMEJGVCWHUJI-UHFFFAOYSA-N
MW316.19 g/mol
LogP3.69
Rot. Bonds4

About [5-[(4-bromo-2-fluorophenoxy)methyl]thiophen-2-yl]methanamine

[5-[(4-bromo-2-fluorophenoxy)methyl]thiophen-2-yl]methanamine (PubChem CID 107558707) has the molecular formula C12H11BrFNOS and a molecular weight of 316.19 g/mol. Its IUPAC name is [5-[(4-bromo-2-fluorophenoxy)methyl]thiophen-2-yl]methanamine.

Molecular Properties

Compound Name[5-[(4-bromo-2-fluorophenoxy)methyl]thiophen-2-yl]methanamine
PubChem CID107558707
Molecular FormulaC12H11BrFNOS
Molecular Weight316.19 g/mol
Exact Mass314.97
IUPAC Name[5-[(4-bromo-2-fluorophenoxy)methyl]thiophen-2-yl]methanamine
SMILESNCc1ccc(COc2ccc(Br)cc2F)s1
InChIInChI=1S/C12H11BrFNOS/c13-8-1-4-12(11(14)5-8)16-7-10-3-2-9(6-15)17-10/h1-5H,6-7,15H2
InChIKeyQPXMEJGVCWHUJI-UHFFFAOYSA-N
XLogP3.69
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.19
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-[(4-bromo-2-fluorophenoxy)methyl]phenyl]methanamine
CID 43531303
[4-[(5-ethylthiophen-2-yl)methoxy]-3-fluorophenyl]methanamine
CID 107686357
5-[(4-bromo-2-fluorophenoxy)methyl]-N-ethyl-1,3-thiazol-2-amine
CID 79774025
[2-[(4-bromo-2-fluorophenoxy)methyl]-1-benzofuran-3-yl]methanamine
CID 62484613
3-[(4-bromo-2-fluorophenoxy)methyl]-5-(furan-2-yl)-1,2-oxazole
CID 9354046
4-[(4-bromo-2-fluorophenyl)methoxy]-3-fluoroaniline
CID 43381966
O-[2-(4-bromo-2-fluorophenoxy)ethyl]hydroxylamine
CID 83396466
[5-(5-bromo-2-fluorophenyl)thiophen-2-yl]methanamine
CID 43556020
4-bromo-2-fluoro-1-[(4-methylphenyl)methoxy]benzene
CID 146003862
3-bromo-2-[(4-bromo-2-fluorophenoxy)methyl]aniline
CID 43349804
3-[(4-bromo-2-fluorophenoxy)methyl]-5-fluoroaniline
CID 112646487
2-bromo-5-[(4-bromo-2-fluorophenoxy)methyl]aniline
CID 115557489

Frequently Asked Questions

What is the IUPAC name of [5-[(4-bromo-2-fluorophenoxy)methyl]thiophen-2-yl]methanamine?
The IUPAC name of [5-[(4-bromo-2-fluorophenoxy)methyl]thiophen-2-yl]methanamine (CID 107558707) is [5-[(4-bromo-2-fluorophenoxy)methyl]thiophen-2-yl]methanamine.
What is the SMILES notation for [5-[(4-bromo-2-fluorophenoxy)methyl]thiophen-2-yl]methanamine?
The canonical SMILES for [5-[(4-bromo-2-fluorophenoxy)methyl]thiophen-2-yl]methanamine is NCc1ccc(COc2ccc(Br)cc2F)s1.
What is the InChIKey of [5-[(4-bromo-2-fluorophenoxy)methyl]thiophen-2-yl]methanamine?
The InChIKey is QPXMEJGVCWHUJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrFNOS/c13-8-1-4-12(11(14)5-8)16-7-10-3-2-9(6-15)17-10/h1-5H,6-7,15H2.
What are the key properties of [5-[(4-bromo-2-fluorophenoxy)methyl]thiophen-2-yl]methanamine?
[5-[(4-bromo-2-fluorophenoxy)methyl]thiophen-2-yl]methanamine has a molecular weight of 316.19 g/mol, XLogP of 3.69, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(4-bromo-2-fluorophenoxy)methyl]thiophen-2-yl]methanamine is sourced from PubChem (CID 107558707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).