N-[[4-[(5-bromothiophen-2-yl)methoxy]-3-fluorophenyl]methyl]cyclopropanamine

C15H15BrFNOS — CID 107688094

IUPACN-[[4-[(5-bromothiophen-2-yl)methoxy]-3-fluorophenyl]methyl]cyclopropanamine
SMILESFc1cc(CNC2CC2)ccc1OCc1ccc(Br)s1
InChIInChI=1S/C15H15BrFNOS/c16-15-6-4-12(20-15)9-19-14-5-1-10(7-13(14)17)8-18-11-2-3-11/h1,4-7,11,18H,2-3,8-9H2
InChIKeyALPKQANTMUYLLG-UHFFFAOYSA-N
MW356.26 g/mol
LogP4.48
Rot. Bonds6

About N-[[4-[(5-bromothiophen-2-yl)methoxy]-3-fluorophenyl]methyl]cyclopropanamine

N-[[4-[(5-bromothiophen-2-yl)methoxy]-3-fluorophenyl]methyl]cyclopropanamine (PubChem CID 107688094) has the molecular formula C15H15BrFNOS and a molecular weight of 356.26 g/mol. Its IUPAC name is N-[[4-[(5-bromothiophen-2-yl)methoxy]-3-fluorophenyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[4-[(5-bromothiophen-2-yl)methoxy]-3-fluorophenyl]methyl]cyclopropanamine
PubChem CID107688094
Molecular FormulaC15H15BrFNOS
Molecular Weight356.26 g/mol
Exact Mass355.00
IUPAC NameN-[[4-[(5-bromothiophen-2-yl)methoxy]-3-fluorophenyl]methyl]cyclopropanamine
SMILESFc1cc(CNC2CC2)ccc1OCc1ccc(Br)s1
InChIInChI=1S/C15H15BrFNOS/c16-15-6-4-12(20-15)9-19-14-5-1-10(7-13(14)17)8-18-11-2-3-11/h1,4-7,11,18H,2-3,8-9H2
InChIKeyALPKQANTMUYLLG-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

Analyze N-[[4-[(5-bromothiophen-2-yl)methoxy]-3-fluorophenyl]methyl]cyclopropanamine with MolForge

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Related Compounds

N-[[2-[(5-bromothiophen-2-yl)methoxy]-5-fluorophenyl]methyl]cyclopropanamine
CID 107696450
N-[[4-[(5-bromothiophen-2-yl)methoxy]phenyl]methyl]cyclopropanamine
CID 60882902
N-[[5-[(4-bromo-2-fluorophenoxy)methyl]furan-3-yl]methyl]cyclopropanamine
CID 62484964
N-[[4-(2-bromoprop-2-enoxy)-3-fluorophenyl]methyl]cyclopropanamine
CID 107688184
N-[[3-fluoro-4-(2-methylpentoxy)phenyl]methyl]cyclopropanamine
CID 107688044
N-[[4-(2-ethylbutoxy)-3-fluorophenyl]methyl]cyclopropanamine
CID 107688315
N-[[3-fluoro-4-[2-(2-methoxyethoxy)ethoxy]phenyl]methyl]cyclopropanamine
CID 107688280
N-[[4-[(4-bromo-2-fluorophenoxy)methyl]-5-methylthiophen-2-yl]methyl]cyclopropanamine
CID 80723282
N-[[5-[(2-fluoro-5-methylphenoxy)methyl]thiophen-2-yl]methyl]cyclopropanamine
CID 107559009
N-[[5-[(2-chloro-4-fluorophenoxy)methyl]thiophen-2-yl]methyl]cyclopropanamine
CID 107558290
N-[[3-[(4-bromo-2-fluorophenoxy)methyl]furan-2-yl]methyl]cyclopropanamine
CID 62486032
N-[[3-fluoro-4-(4-fluorophenoxy)phenyl]methyl]cyclopropanamine
CID 43283164

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(5-bromothiophen-2-yl)methoxy]-3-fluorophenyl]methyl]cyclopropanamine?
The IUPAC name of N-[[4-[(5-bromothiophen-2-yl)methoxy]-3-fluorophenyl]methyl]cyclopropanamine (CID 107688094) is N-[[4-[(5-bromothiophen-2-yl)methoxy]-3-fluorophenyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[4-[(5-bromothiophen-2-yl)methoxy]-3-fluorophenyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[4-[(5-bromothiophen-2-yl)methoxy]-3-fluorophenyl]methyl]cyclopropanamine is Fc1cc(CNC2CC2)ccc1OCc1ccc(Br)s1.
What is the InChIKey of N-[[4-[(5-bromothiophen-2-yl)methoxy]-3-fluorophenyl]methyl]cyclopropanamine?
The InChIKey is ALPKQANTMUYLLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrFNOS/c16-15-6-4-12(20-15)9-19-14-5-1-10(7-13(14)17)8-18-11-2-3-11/h1,4-7,11,18H,2-3,8-9H2.
What are the key properties of N-[[4-[(5-bromothiophen-2-yl)methoxy]-3-fluorophenyl]methyl]cyclopropanamine?
N-[[4-[(5-bromothiophen-2-yl)methoxy]-3-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-[[4-[(5-bromothiophen-2-yl)methoxy]-3-fluorophenyl]methyl]cyclopropanamine is sourced from PubChem (CID 107688094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).