N-[[3-[(5-bromo-2-fluorophenoxy)methyl]furan-2-yl]methyl]propan-2-amine

C15H17BrFNO2 — CID 114676916

IUPACN-[[3-[(5-bromo-2-fluorophenoxy)methyl]furan-2-yl]methyl]propan-2-amine
SMILESCC(C)NCc1occc1COc1cc(Br)ccc1F
InChIInChI=1S/C15H17BrFNO2/c1-10(2)18-8-15-11(5-6-19-15)9-20-14-7-12(16)3-4-13(14)17/h3-7,10,18H,8-9H2,1-2H3
InChIKeyYOLQDRRNKPFGKL-UHFFFAOYSA-N
MW342.21 g/mol
LogP4.26
Rot. Bonds6

About N-[[3-[(5-bromo-2-fluorophenoxy)methyl]furan-2-yl]methyl]propan-2-amine

N-[[3-[(5-bromo-2-fluorophenoxy)methyl]furan-2-yl]methyl]propan-2-amine (PubChem CID 114676916) has the molecular formula C15H17BrFNO2 and a molecular weight of 342.21 g/mol. Its IUPAC name is N-[[3-[(5-bromo-2-fluorophenoxy)methyl]furan-2-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[3-[(5-bromo-2-fluorophenoxy)methyl]furan-2-yl]methyl]propan-2-amine
PubChem CID114676916
Molecular FormulaC15H17BrFNO2
Molecular Weight342.21 g/mol
Exact Mass341.04
IUPAC NameN-[[3-[(5-bromo-2-fluorophenoxy)methyl]furan-2-yl]methyl]propan-2-amine
SMILESCC(C)NCc1occc1COc1cc(Br)ccc1F
InChIInChI=1S/C15H17BrFNO2/c1-10(2)18-8-15-11(5-6-19-15)9-20-14-7-12(16)3-4-13(14)17/h3-7,10,18H,8-9H2,1-2H3
InChIKeyYOLQDRRNKPFGKL-UHFFFAOYSA-N
XLogP4.26
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.21
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[3-[(5-bromo-2-fluorophenoxy)methyl]furan-2-yl]methyl]propan-2-amine with MolForge

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Related Compounds

N-[[3-[(4-bromo-2-chlorophenoxy)methyl]furan-2-yl]methyl]propan-2-amine
CID 62485295
N-[[3-[(3-bromo-5-fluorophenoxy)methyl]furan-2-yl]methyl]propan-2-amine
CID 81325773
N-[[5-[(5-bromo-2-fluorophenoxy)methyl]-2-methylfuran-3-yl]methyl]propan-2-amine
CID 114676848
N-[[2-[(4-bromo-2-fluorophenoxy)methyl]phenyl]methyl]propan-2-amine
CID 62484259
N-[[3-[(3-chlorophenoxy)methyl]furan-2-yl]methyl]propan-2-amine
CID 55076853
N-[[3-[(4-bromo-2-fluorophenoxy)methyl]furan-2-yl]methyl]cyclopropanamine
CID 62486032
N-[[3-[(2-fluoro-5-methylphenoxy)methyl]furan-2-yl]methyl]propan-1-amine
CID 64854897
N-[[2-[(2,4-dichlorophenoxy)methyl]furan-3-yl]methyl]propan-2-amine
CID 62458317
N-[[3-[(3-propan-2-ylphenoxy)methyl]furan-2-yl]methyl]propan-2-amine
CID 62454863
N-[[3-(1,1,1-trifluoropropan-2-yloxymethyl)furan-2-yl]methyl]propan-2-amine
CID 66275759
1-[2-[(5-bromo-2-fluorophenoxy)methyl]phenyl]-N-methylmethanamine
CID 114676917
N-[[2-[(5-fluoro-2-methylphenoxy)methyl]furan-3-yl]methyl]propan-2-amine
CID 102986350

Frequently Asked Questions

What is the IUPAC name of N-[[3-[(5-bromo-2-fluorophenoxy)methyl]furan-2-yl]methyl]propan-2-amine?
The IUPAC name of N-[[3-[(5-bromo-2-fluorophenoxy)methyl]furan-2-yl]methyl]propan-2-amine (CID 114676916) is N-[[3-[(5-bromo-2-fluorophenoxy)methyl]furan-2-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[3-[(5-bromo-2-fluorophenoxy)methyl]furan-2-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[3-[(5-bromo-2-fluorophenoxy)methyl]furan-2-yl]methyl]propan-2-amine is CC(C)NCc1occc1COc1cc(Br)ccc1F.
What is the InChIKey of N-[[3-[(5-bromo-2-fluorophenoxy)methyl]furan-2-yl]methyl]propan-2-amine?
The InChIKey is YOLQDRRNKPFGKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrFNO2/c1-10(2)18-8-15-11(5-6-19-15)9-20-14-7-12(16)3-4-13(14)17/h3-7,10,18H,8-9H2,1-2H3.
What are the key properties of N-[[3-[(5-bromo-2-fluorophenoxy)methyl]furan-2-yl]methyl]propan-2-amine?
N-[[3-[(5-bromo-2-fluorophenoxy)methyl]furan-2-yl]methyl]propan-2-amine has a molecular weight of 342.21 g/mol, XLogP of 4.26, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[(5-bromo-2-fluorophenoxy)methyl]furan-2-yl]methyl]propan-2-amine is sourced from PubChem (CID 114676916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).