N-[[5-[(4-bromo-2-fluorophenoxy)methyl]furan-3-yl]methyl]cyclopropanamine

C15H15BrFNO2 — CID 62484964

IUPACN-[[5-[(4-bromo-2-fluorophenoxy)methyl]furan-3-yl]methyl]cyclopropanamine
SMILESFc1cc(Br)ccc1OCc1cc(CNC2CC2)co1
InChIInChI=1S/C15H15BrFNO2/c16-11-1-4-15(14(17)6-11)20-9-13-5-10(8-19-13)7-18-12-2-3-12/h1,4-6,8,12,18H,2-3,7,9H2
InChIKeyNZDQEXOKNADTRI-UHFFFAOYSA-N
MW340.19 g/mol
LogP4.01
Rot. Bonds6

About N-[[5-[(4-bromo-2-fluorophenoxy)methyl]furan-3-yl]methyl]cyclopropanamine

N-[[5-[(4-bromo-2-fluorophenoxy)methyl]furan-3-yl]methyl]cyclopropanamine (PubChem CID 62484964) has the molecular formula C15H15BrFNO2 and a molecular weight of 340.19 g/mol. Its IUPAC name is N-[[5-[(4-bromo-2-fluorophenoxy)methyl]furan-3-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[5-[(4-bromo-2-fluorophenoxy)methyl]furan-3-yl]methyl]cyclopropanamine
PubChem CID62484964
Molecular FormulaC15H15BrFNO2
Molecular Weight340.19 g/mol
Exact Mass339.03
IUPAC NameN-[[5-[(4-bromo-2-fluorophenoxy)methyl]furan-3-yl]methyl]cyclopropanamine
SMILESFc1cc(Br)ccc1OCc1cc(CNC2CC2)co1
InChIInChI=1S/C15H15BrFNO2/c16-11-1-4-15(14(17)6-11)20-9-13-5-10(8-19-13)7-18-12-2-3-12/h1,4-6,8,12,18H,2-3,7,9H2
InChIKeyNZDQEXOKNADTRI-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-[[5-[(4-bromo-2-fluorophenoxy)methyl]furan-3-yl]methyl]cyclopropanamine with MolForge

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Related Compounds

N-[[5-[(5-bromo-2,3-difluorophenoxy)methyl]furan-3-yl]methyl]cyclopropanamine
CID 107101510
N-[[5-[(5-bromo-2-methylphenoxy)methyl]furan-3-yl]methyl]cyclopropanamine
CID 107286141
N-[[5-[(4-bromo-2-fluorophenoxy)methyl]furan-3-yl]methyl]-2-methylpropan-2-amine
CID 62485139
N-[[5-[(4-bromo-2-fluorophenoxy)methyl]-2-methylfuran-3-yl]methyl]cyclopropanamine
CID 62484961
N-[[5-[(2-chloro-4-methylphenoxy)methyl]furan-3-yl]methyl]cyclopropanamine
CID 62673103
N-[[3-[(4-bromo-2-fluorophenoxy)methyl]furan-2-yl]methyl]cyclopropanamine
CID 62486032
N-[[5-[(4-bromophenyl)methoxymethyl]furan-3-yl]methyl]cyclopropanamine
CID 82831319
N-[[4-[(5-bromothiophen-2-yl)methoxy]-3-fluorophenyl]methyl]cyclopropanamine
CID 107688094
N-[[4-[(4-bromo-2-fluorophenoxy)methyl]-5-methylthiophen-2-yl]methyl]cyclopropanamine
CID 80723282
N-[[5-(propan-2-yloxymethyl)furan-3-yl]methyl]cyclopropanamine
CID 62456702
1-[5-[(2,4-difluorophenoxy)methyl]furan-3-yl]-N-methylmethanamine
CID 62450544
N-[[5-[(3,4-dichlorophenoxy)methyl]furan-3-yl]methyl]cyclopropanamine
CID 62485051

Frequently Asked Questions

What is the IUPAC name of N-[[5-[(4-bromo-2-fluorophenoxy)methyl]furan-3-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[5-[(4-bromo-2-fluorophenoxy)methyl]furan-3-yl]methyl]cyclopropanamine (CID 62484964) is N-[[5-[(4-bromo-2-fluorophenoxy)methyl]furan-3-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[5-[(4-bromo-2-fluorophenoxy)methyl]furan-3-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[5-[(4-bromo-2-fluorophenoxy)methyl]furan-3-yl]methyl]cyclopropanamine is Fc1cc(Br)ccc1OCc1cc(CNC2CC2)co1.
What is the InChIKey of N-[[5-[(4-bromo-2-fluorophenoxy)methyl]furan-3-yl]methyl]cyclopropanamine?
The InChIKey is NZDQEXOKNADTRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrFNO2/c16-11-1-4-15(14(17)6-11)20-9-13-5-10(8-19-13)7-18-12-2-3-12/h1,4-6,8,12,18H,2-3,7,9H2.
What are the key properties of N-[[5-[(4-bromo-2-fluorophenoxy)methyl]furan-3-yl]methyl]cyclopropanamine?
N-[[5-[(4-bromo-2-fluorophenoxy)methyl]furan-3-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-[[5-[(4-bromo-2-fluorophenoxy)methyl]furan-3-yl]methyl]cyclopropanamine is sourced from PubChem (CID 62484964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).