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

C15H15BrFNO2 — CID 62486032

IUPACN-[[3-[(4-bromo-2-fluorophenoxy)methyl]furan-2-yl]methyl]cyclopropanamine
SMILESFc1cc(Br)ccc1OCc1ccoc1CNC1CC1
InChIInChI=1S/C15H15BrFNO2/c16-11-1-4-14(13(17)7-11)20-9-10-5-6-19-15(10)8-18-12-2-3-12/h1,4-7,12,18H,2-3,8-9H2
InChIKeyLAWJMQBIJUENIA-UHFFFAOYSA-N
MW340.19 g/mol
LogP4.01
Rot. Bonds6

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

N-[[3-[(4-bromo-2-fluorophenoxy)methyl]furan-2-yl]methyl]cyclopropanamine (PubChem CID 62486032) has the molecular formula C15H15BrFNO2 and a molecular weight of 340.19 g/mol. Its IUPAC name is N-[[3-[(4-bromo-2-fluorophenoxy)methyl]furan-2-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[3-[(4-bromo-2-fluorophenoxy)methyl]furan-2-yl]methyl]cyclopropanamine
PubChem CID62486032
Molecular FormulaC15H15BrFNO2
Molecular Weight340.19 g/mol
Exact Mass339.03
IUPAC NameN-[[3-[(4-bromo-2-fluorophenoxy)methyl]furan-2-yl]methyl]cyclopropanamine
SMILESFc1cc(Br)ccc1OCc1ccoc1CNC1CC1
InChIInChI=1S/C15H15BrFNO2/c16-11-1-4-14(13(17)7-11)20-9-10-5-6-19-15(10)8-18-12-2-3-12/h1,4-7,12,18H,2-3,8-9H2
InChIKeyLAWJMQBIJUENIA-UHFFFAOYSA-N
XLogP4.01
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.19
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[3-[(4-bromo-2-fluorophenoxy)methyl]furan-2-yl]methyl]cyclopropanamine with MolForge

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Related Compounds

N-[[3-[(2-chloro-4-fluorophenoxy)methyl]furan-2-yl]methyl]cyclopropanamine
CID 62452095
N-[[4-[(4-bromo-2-fluorophenoxy)methyl]-5-methylthiophen-2-yl]methyl]cyclopropanamine
CID 80723282
N-[[5-[(4-bromo-2-fluorophenoxy)methyl]furan-3-yl]methyl]cyclopropanamine
CID 62484964
N-[[3-[(2-fluoro-3-methylphenoxy)methyl]furan-2-yl]methyl]cyclopropanamine
CID 107661302
N-[[5-[(4-bromo-2-fluorophenoxy)methyl]-2-methylfuran-3-yl]methyl]cyclopropanamine
CID 62484961
N-[[3-[(5-bromo-2-fluorophenoxy)methyl]furan-2-yl]methyl]propan-2-amine
CID 114676916
N-[[3-[(3-chlorophenoxy)methyl]furan-2-yl]methyl]cyclopropanamine
CID 62459727
N-[[3-[(4-chloro-2,6-dimethylphenoxy)methyl]furan-2-yl]methyl]cyclopropanamine
CID 62449854
N-[5-(4-bromo-2-fluorophenoxy)pentyl]cyclopropanamine
CID 55077009
N-[[4-[(5-bromothiophen-2-yl)methoxy]-3-fluorophenyl]methyl]cyclopropanamine
CID 107688094
N-[[4-[(5-bromo-2-fluorophenoxy)methyl]-5-methylfuran-2-yl]methyl]cyclopropanamine
CID 114676891
N-[[5-bromo-2-[(2-methylphenyl)methoxy]phenyl]methyl]cyclopropanamine
CID 43277669

Frequently Asked Questions

What is the IUPAC name of N-[[3-[(4-bromo-2-fluorophenoxy)methyl]furan-2-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[3-[(4-bromo-2-fluorophenoxy)methyl]furan-2-yl]methyl]cyclopropanamine (CID 62486032) is N-[[3-[(4-bromo-2-fluorophenoxy)methyl]furan-2-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[3-[(4-bromo-2-fluorophenoxy)methyl]furan-2-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[3-[(4-bromo-2-fluorophenoxy)methyl]furan-2-yl]methyl]cyclopropanamine is Fc1cc(Br)ccc1OCc1ccoc1CNC1CC1.
What is the InChIKey of N-[[3-[(4-bromo-2-fluorophenoxy)methyl]furan-2-yl]methyl]cyclopropanamine?
The InChIKey is LAWJMQBIJUENIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrFNO2/c16-11-1-4-14(13(17)7-11)20-9-10-5-6-19-15(10)8-18-12-2-3-12/h1,4-7,12,18H,2-3,8-9H2.
What are the key properties of N-[[3-[(4-bromo-2-fluorophenoxy)methyl]furan-2-yl]methyl]cyclopropanamine?
N-[[3-[(4-bromo-2-fluorophenoxy)methyl]furan-2-yl]methyl]cyclopropanamine has a molecular weight of 340.19 g/mol, XLogP of 4.01, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[(4-bromo-2-fluorophenoxy)methyl]furan-2-yl]methyl]cyclopropanamine is sourced from PubChem (CID 62486032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).