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

C15H15BrFNOS — CID 107696476

IUPACN-[[2-[(4-bromothiophen-2-yl)methoxy]-5-fluorophenyl]methyl]cyclopropanamine
SMILESFc1ccc(OCc2cc(Br)cs2)c(CNC2CC2)c1
InChIInChI=1S/C15H15BrFNOS/c16-11-6-14(20-9-11)8-19-15-4-1-12(17)5-10(15)7-18-13-2-3-13/h1,4-6,9,13,18H,2-3,7-8H2
InChIKeyJITAPDWGCBWSQQ-UHFFFAOYSA-N
MW356.26 g/mol
LogP4.48
Rot. Bonds6

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

N-[[2-[(4-bromothiophen-2-yl)methoxy]-5-fluorophenyl]methyl]cyclopropanamine (PubChem CID 107696476) has the molecular formula C15H15BrFNOS and a molecular weight of 356.26 g/mol. Its IUPAC name is N-[[2-[(4-bromothiophen-2-yl)methoxy]-5-fluorophenyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[2-[(4-bromothiophen-2-yl)methoxy]-5-fluorophenyl]methyl]cyclopropanamine
PubChem CID107696476
Molecular FormulaC15H15BrFNOS
Molecular Weight356.26 g/mol
Exact Mass355.00
IUPAC NameN-[[2-[(4-bromothiophen-2-yl)methoxy]-5-fluorophenyl]methyl]cyclopropanamine
SMILESFc1ccc(OCc2cc(Br)cs2)c(CNC2CC2)c1
InChIInChI=1S/C15H15BrFNOS/c16-11-6-14(20-9-11)8-19-15-4-1-12(17)5-10(15)7-18-13-2-3-13/h1,4-6,9,13,18H,2-3,7-8H2
InChIKeyJITAPDWGCBWSQQ-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-[(5-bromothiophen-2-yl)methoxy]-5-fluorophenyl]methyl]cyclopropanamine
CID 107696450
N-[[2-[(4-bromothiophen-2-yl)methoxy]-5-fluorophenyl]methyl]ethanamine
CID 107695728
N-[[5-fluoro-2-[(4-methyl-1,3-thiazol-2-yl)methoxy]phenyl]methyl]cyclopropanamine
CID 107696407
N-[[2-(5-bromo-2-fluorophenoxy)-5-fluorophenyl]methyl]cyclopropanamine
CID 114674394
N-[[5-bromo-2-(thiophen-3-ylmethoxy)phenyl]methyl]cyclopropanamine
CID 60881620
N-[[5-bromo-2-[(4-fluorophenyl)methoxy]phenyl]methyl]cyclohexanamine
CID 4721508
N-[[5-fluoro-2-(4-methoxybutoxy)phenyl]methyl]cyclopropanamine
CID 107696508
4-bromo-2-[[4-bromo-2-(chloromethyl)phenoxy]methyl]thiophene
CID 63534490
N-[[5-[(2-chloro-4-fluorophenoxy)methyl]thiophen-2-yl]methyl]cyclopropanamine
CID 107558290
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

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(4-bromothiophen-2-yl)methoxy]-5-fluorophenyl]methyl]cyclopropanamine?
The IUPAC name of N-[[2-[(4-bromothiophen-2-yl)methoxy]-5-fluorophenyl]methyl]cyclopropanamine (CID 107696476) is N-[[2-[(4-bromothiophen-2-yl)methoxy]-5-fluorophenyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[2-[(4-bromothiophen-2-yl)methoxy]-5-fluorophenyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[2-[(4-bromothiophen-2-yl)methoxy]-5-fluorophenyl]methyl]cyclopropanamine is Fc1ccc(OCc2cc(Br)cs2)c(CNC2CC2)c1.
What is the InChIKey of N-[[2-[(4-bromothiophen-2-yl)methoxy]-5-fluorophenyl]methyl]cyclopropanamine?
The InChIKey is JITAPDWGCBWSQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrFNOS/c16-11-6-14(20-9-11)8-19-15-4-1-12(17)5-10(15)7-18-13-2-3-13/h1,4-6,9,13,18H,2-3,7-8H2.
What are the key properties of N-[[2-[(4-bromothiophen-2-yl)methoxy]-5-fluorophenyl]methyl]cyclopropanamine?
N-[[2-[(4-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-[(4-bromothiophen-2-yl)methoxy]-5-fluorophenyl]methyl]cyclopropanamine is sourced from PubChem (CID 107696476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).