N-[[2-(4-bromo-3-fluorophenoxy)phenyl]methyl]cyclopropanamine

C16H15BrFNO — CID 65201369

IUPACN-[[2-(4-bromo-3-fluorophenoxy)phenyl]methyl]cyclopropanamine
SMILESFc1cc(Oc2ccccc2CNC2CC2)ccc1Br
InChIInChI=1S/C16H15BrFNO/c17-14-8-7-13(9-15(14)18)20-16-4-2-1-3-11(16)10-19-12-5-6-12/h1-4,7-9,12,19H,5-6,10H2
InChIKeyJOROAIVRWXMAEH-UHFFFAOYSA-N
MW336.20 g/mol
LogP4.63
Rot. Bonds5

About N-[[2-(4-bromo-3-fluorophenoxy)phenyl]methyl]cyclopropanamine

N-[[2-(4-bromo-3-fluorophenoxy)phenyl]methyl]cyclopropanamine (PubChem CID 65201369) has the molecular formula C16H15BrFNO and a molecular weight of 336.20 g/mol. Its IUPAC name is N-[[2-(4-bromo-3-fluorophenoxy)phenyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[2-(4-bromo-3-fluorophenoxy)phenyl]methyl]cyclopropanamine
PubChem CID65201369
Molecular FormulaC16H15BrFNO
Molecular Weight336.20 g/mol
Exact Mass335.03
IUPAC NameN-[[2-(4-bromo-3-fluorophenoxy)phenyl]methyl]cyclopropanamine
SMILESFc1cc(Oc2ccccc2CNC2CC2)ccc1Br
InChIInChI=1S/C16H15BrFNO/c17-14-8-7-13(9-15(14)18)20-16-4-2-1-3-11(16)10-19-12-5-6-12/h1-4,7-9,12,19H,5-6,10H2
InChIKeyJOROAIVRWXMAEH-UHFFFAOYSA-N
XLogP4.63
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.20
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[2-(4-bromo-3-fluorophenoxy)-6-chlorophenyl]methyl]cyclopropanamine
CID 65201184
N-[[2-(4-bromo-3-fluorophenoxy)-3-pyridinyl]methyl]cyclopropanamine
CID 65201430
N-[[2-(3-fluorophenoxy)phenyl]methyl]cyclopropanamine
CID 43283337
N-[[2-(2,3-dihydro-1H-inden-5-yloxy)phenyl]methyl]cyclopropanamine
CID 43283536
N-[[4-(2-bromophenoxy)-2-methylphenyl]methyl]cyclopropanamine
CID 63552532
N-[[6-(4-bromo-3-fluorophenoxy)-5-chloro-3-pyridinyl]methyl]cyclopropanamine
CID 65201433
N-[[2-(2-fluoro-3-methylphenoxy)phenyl]methyl]cyclopropanamine
CID 107659667
N-[[2-[(5-chloro-3-pyridinyl)oxy]phenyl]methyl]cyclopropanamine
CID 64600037
N-[2-(4-bromo-3-fluorophenoxy)ethyl]cyclopropanamine
CID 65201328
N-[[3-(4-chloro-3-fluorophenoxy)-4-pyridinyl]methyl]cyclopropanamine
CID 105075896
N-[[4-(2-bromophenoxy)-3,5-difluorophenyl]methyl]cyclopropanamine
CID 63076138
N-[[2-(2-ethylphenoxy)-5-fluorophenyl]methyl]cyclopropanamine
CID 43314359

Frequently Asked Questions

What is the IUPAC name of N-[[2-(4-bromo-3-fluorophenoxy)phenyl]methyl]cyclopropanamine?
The IUPAC name of N-[[2-(4-bromo-3-fluorophenoxy)phenyl]methyl]cyclopropanamine (CID 65201369) is N-[[2-(4-bromo-3-fluorophenoxy)phenyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[2-(4-bromo-3-fluorophenoxy)phenyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[2-(4-bromo-3-fluorophenoxy)phenyl]methyl]cyclopropanamine is Fc1cc(Oc2ccccc2CNC2CC2)ccc1Br.
What is the InChIKey of N-[[2-(4-bromo-3-fluorophenoxy)phenyl]methyl]cyclopropanamine?
The InChIKey is JOROAIVRWXMAEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrFNO/c17-14-8-7-13(9-15(14)18)20-16-4-2-1-3-11(16)10-19-12-5-6-12/h1-4,7-9,12,19H,5-6,10H2.
What are the key properties of N-[[2-(4-bromo-3-fluorophenoxy)phenyl]methyl]cyclopropanamine?
N-[[2-(4-bromo-3-fluorophenoxy)phenyl]methyl]cyclopropanamine has a molecular weight of 336.20 g/mol, XLogP of 4.63, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(4-bromo-3-fluorophenoxy)phenyl]methyl]cyclopropanamine is sourced from PubChem (CID 65201369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).