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

C15H15BrFNOS — CID 107696450

IUPACN-[[2-[(5-bromothiophen-2-yl)methoxy]-5-fluorophenyl]methyl]cyclopropanamine
SMILESFc1ccc(OCc2ccc(Br)s2)c(CNC2CC2)c1
InChIInChI=1S/C15H15BrFNOS/c16-15-6-4-13(20-15)9-19-14-5-1-11(17)7-10(14)8-18-12-2-3-12/h1,4-7,12,18H,2-3,8-9H2
InChIKeyGLEWNURQOLULPP-UHFFFAOYSA-N
MW356.26 g/mol
LogP4.48
Rot. Bonds6

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

N-[[2-[(5-bromothiophen-2-yl)methoxy]-5-fluorophenyl]methyl]cyclopropanamine (PubChem CID 107696450) has the molecular formula C15H15BrFNOS and a molecular weight of 356.26 g/mol. Its IUPAC name is N-[[2-[(5-bromothiophen-2-yl)methoxy]-5-fluorophenyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[2-[(5-bromothiophen-2-yl)methoxy]-5-fluorophenyl]methyl]cyclopropanamine
PubChem CID107696450
Molecular FormulaC15H15BrFNOS
Molecular Weight356.26 g/mol
Exact Mass355.00
IUPAC NameN-[[2-[(5-bromothiophen-2-yl)methoxy]-5-fluorophenyl]methyl]cyclopropanamine
SMILESFc1ccc(OCc2ccc(Br)s2)c(CNC2CC2)c1
InChIInChI=1S/C15H15BrFNOS/c16-15-6-4-13(20-15)9-19-14-5-1-11(17)7-10(14)8-18-12-2-3-12/h1,4-7,12,18H,2-3,8-9H2
InChIKeyGLEWNURQOLULPP-UHFFFAOYSA-N
XLogP4.48
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.26
LogP ≤ 54.48
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-[[4-[(5-bromothiophen-2-yl)methoxy]-3-fluorophenyl]methyl]cyclopropanamine
CID 107688094
N-[[5-[(2-chloro-4-fluorophenoxy)methyl]thiophen-2-yl]methyl]cyclopropanamine
CID 107558290
N-[[4-[(5-bromothiophen-2-yl)methoxy]phenyl]methyl]cyclopropanamine
CID 60882902
N-[[5-fluoro-2-[(4-methyl-1,3-thiazol-2-yl)methoxy]phenyl]methyl]cyclopropanamine
CID 107696407
N-[[5-fluoro-2-(4-methoxybutoxy)phenyl]methyl]cyclopropanamine
CID 107696508
N-[[2-[(2-chloro-5-fluorophenyl)methoxy]phenyl]methyl]cyclopropanamine
CID 102615167
3-[2-[(cyclopropylamino)methyl]-4-fluorophenoxy]propanamide
CID 107696299
N-[[5-fluoro-2-[2-(trifluoromethoxy)ethoxy]phenyl]methyl]cyclopropanamine
CID 107696269
N-[[5-bromo-2-[(4-fluorophenyl)methoxy]phenyl]methyl]cyclohexanamine
CID 4721508
2-[2-[(cyclopropylamino)methyl]-4-fluorophenoxy]-N,N-dimethylacetamide
CID 107696376
N-[[2-(5-bromo-2-fluorophenoxy)-5-fluorophenyl]methyl]cyclopropanamine
CID 114674394

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(5-bromothiophen-2-yl)methoxy]-5-fluorophenyl]methyl]cyclopropanamine?
The IUPAC name of N-[[2-[(5-bromothiophen-2-yl)methoxy]-5-fluorophenyl]methyl]cyclopropanamine (CID 107696450) is N-[[2-[(5-bromothiophen-2-yl)methoxy]-5-fluorophenyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[2-[(5-bromothiophen-2-yl)methoxy]-5-fluorophenyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[2-[(5-bromothiophen-2-yl)methoxy]-5-fluorophenyl]methyl]cyclopropanamine is Fc1ccc(OCc2ccc(Br)s2)c(CNC2CC2)c1.
What is the InChIKey of N-[[2-[(5-bromothiophen-2-yl)methoxy]-5-fluorophenyl]methyl]cyclopropanamine?
The InChIKey is GLEWNURQOLULPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrFNOS/c16-15-6-4-13(20-15)9-19-14-5-1-11(17)7-10(14)8-18-12-2-3-12/h1,4-7,12,18H,2-3,8-9H2.
What are the key properties of N-[[2-[(5-bromothiophen-2-yl)methoxy]-5-fluorophenyl]methyl]cyclopropanamine?
N-[[2-[(5-bromothiophen-2-yl)methoxy]-5-fluorophenyl]methyl]cyclopropanamine has a molecular weight of 356.26 g/mol, XLogP of 4.48, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(5-bromothiophen-2-yl)methoxy]-5-fluorophenyl]methyl]cyclopropanamine is sourced from PubChem (CID 107696450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).