N-[[5-[(3-bromo-4-fluorophenoxy)methyl]-3-methylfuran-2-yl]methyl]ethanamine

C15H17BrFNO2 — CID 83233998

IUPACN-[[5-[(3-bromo-4-fluorophenoxy)methyl]-3-methylfuran-2-yl]methyl]ethanamine
SMILESCCNCc1oc(COc2ccc(F)c(Br)c2)cc1C
InChIInChI=1S/C15H17BrFNO2/c1-3-18-8-15-10(2)6-12(20-15)9-19-11-4-5-14(17)13(16)7-11/h4-7,18H,3,8-9H2,1-2H3
InChIKeyHWWCIEAWBRZCJU-UHFFFAOYSA-N
MW342.21 g/mol
LogP4.18
Rot. Bonds6

About N-[[5-[(3-bromo-4-fluorophenoxy)methyl]-3-methylfuran-2-yl]methyl]ethanamine

N-[[5-[(3-bromo-4-fluorophenoxy)methyl]-3-methylfuran-2-yl]methyl]ethanamine (PubChem CID 83233998) has the molecular formula C15H17BrFNO2 and a molecular weight of 342.21 g/mol. Its IUPAC name is N-[[5-[(3-bromo-4-fluorophenoxy)methyl]-3-methylfuran-2-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[5-[(3-bromo-4-fluorophenoxy)methyl]-3-methylfuran-2-yl]methyl]ethanamine
PubChem CID83233998
Molecular FormulaC15H17BrFNO2
Molecular Weight342.21 g/mol
Exact Mass341.04
IUPAC NameN-[[5-[(3-bromo-4-fluorophenoxy)methyl]-3-methylfuran-2-yl]methyl]ethanamine
SMILESCCNCc1oc(COc2ccc(F)c(Br)c2)cc1C
InChIInChI=1S/C15H17BrFNO2/c1-3-18-8-15-10(2)6-12(20-15)9-19-11-4-5-14(17)13(16)7-11/h4-7,18H,3,8-9H2,1-2H3
InChIKeyHWWCIEAWBRZCJU-UHFFFAOYSA-N
XLogP4.18
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 ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[5-[(4-chlorophenoxy)methyl]-3-methylfuran-2-yl]methyl]ethanamine
CID 62453750
N-[[5-[(4-ethoxyphenoxy)methyl]-3-methylfuran-2-yl]methyl]ethanamine
CID 62449858
N-[[5-[(3-bromo-5-fluorophenoxy)methyl]-3-methylfuran-2-yl]methyl]ethanamine
CID 81325778
N-[[3-methyl-5-[(4-propylphenoxy)methyl]furan-2-yl]methyl]ethanamine
CID 62548082
N-[[5-[(4-bromo-3-fluorophenoxy)methyl]-2-methylfuran-3-yl]methyl]ethanamine
CID 65201154
5-[(3-bromo-4-fluorophenoxy)methyl]-3-methylfuran-2-carbohydrazide
CID 83234267
N-[[3-bromo-4-[(3-bromo-4-fluorophenoxy)methyl]phenyl]methyl]ethanamine
CID 102774021
[5-[(3,4-difluorophenoxy)methyl]-3-methylfuran-2-yl]methanamine
CID 55077160
1-[5-[(4-chlorophenoxy)methyl]-3-methylfuran-2-yl]-N-methylmethanamine
CID 55077027
N-[[3-methyl-5-[(2-methylsulfanylphenoxy)methyl]furan-2-yl]methyl]ethanamine
CID 63649074
N-methyl-1-[3-methyl-5-[(4-propylphenoxy)methyl]furan-2-yl]methanamine
CID 62548081
N-[[5-[(3-bromo-5-fluorophenoxy)methyl]-2-methylfuran-3-yl]methyl]ethanamine
CID 81326086

Frequently Asked Questions

What is the IUPAC name of N-[[5-[(3-bromo-4-fluorophenoxy)methyl]-3-methylfuran-2-yl]methyl]ethanamine?
The IUPAC name of N-[[5-[(3-bromo-4-fluorophenoxy)methyl]-3-methylfuran-2-yl]methyl]ethanamine (CID 83233998) is N-[[5-[(3-bromo-4-fluorophenoxy)methyl]-3-methylfuran-2-yl]methyl]ethanamine.
What is the SMILES notation for N-[[5-[(3-bromo-4-fluorophenoxy)methyl]-3-methylfuran-2-yl]methyl]ethanamine?
The canonical SMILES for N-[[5-[(3-bromo-4-fluorophenoxy)methyl]-3-methylfuran-2-yl]methyl]ethanamine is CCNCc1oc(COc2ccc(F)c(Br)c2)cc1C.
What is the InChIKey of N-[[5-[(3-bromo-4-fluorophenoxy)methyl]-3-methylfuran-2-yl]methyl]ethanamine?
The InChIKey is HWWCIEAWBRZCJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrFNO2/c1-3-18-8-15-10(2)6-12(20-15)9-19-11-4-5-14(17)13(16)7-11/h4-7,18H,3,8-9H2,1-2H3.
What are the key properties of N-[[5-[(3-bromo-4-fluorophenoxy)methyl]-3-methylfuran-2-yl]methyl]ethanamine?
N-[[5-[(3-bromo-4-fluorophenoxy)methyl]-3-methylfuran-2-yl]methyl]ethanamine has a molecular weight of 342.21 g/mol, XLogP of 4.18, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[(3-bromo-4-fluorophenoxy)methyl]-3-methylfuran-2-yl]methyl]ethanamine is sourced from PubChem (CID 83233998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).