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

C16H20BrNO2 — CID 107286059

IUPACN-[[5-[(5-bromo-2-methylphenoxy)methyl]furan-2-yl]methyl]propan-2-amine
SMILESCc1ccc(Br)cc1OCc1ccc(CNC(C)C)o1
InChIInChI=1S/C16H20BrNO2/c1-11(2)18-9-14-6-7-15(20-14)10-19-16-8-13(17)5-4-12(16)3/h4-8,11,18H,9-10H2,1-3H3
InChIKeySUCIWJLLZOWANU-UHFFFAOYSA-N
MW338.25 g/mol
LogP4.43
Rot. Bonds6

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

N-[[5-[(5-bromo-2-methylphenoxy)methyl]furan-2-yl]methyl]propan-2-amine (PubChem CID 107286059) has the molecular formula C16H20BrNO2 and a molecular weight of 338.25 g/mol. Its IUPAC name is N-[[5-[(5-bromo-2-methylphenoxy)methyl]furan-2-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[5-[(5-bromo-2-methylphenoxy)methyl]furan-2-yl]methyl]propan-2-amine
PubChem CID107286059
Molecular FormulaC16H20BrNO2
Molecular Weight338.25 g/mol
Exact Mass337.07
IUPAC NameN-[[5-[(5-bromo-2-methylphenoxy)methyl]furan-2-yl]methyl]propan-2-amine
SMILESCc1ccc(Br)cc1OCc1ccc(CNC(C)C)o1
InChIInChI=1S/C16H20BrNO2/c1-11(2)18-9-14-6-7-15(20-14)10-19-16-8-13(17)5-4-12(16)3/h4-8,11,18H,9-10H2,1-3H3
InChIKeySUCIWJLLZOWANU-UHFFFAOYSA-N
XLogP4.43
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.25
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

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Related Compounds

5-[(5-bromo-2-methylphenoxy)methyl]furan-2-carbaldehyde
CID 107285070
2-[(5-bromo-2-methylphenoxy)methyl]-5-nitrofuran
CID 107284289
N-[[5-[(4-bromo-2-methylphenoxy)methyl]furan-2-yl]methyl]propan-1-amine
CID 63214658
N-[[5-[(5-bromo-2-fluorophenoxy)methyl]-2-methylfuran-3-yl]methyl]propan-2-amine
CID 114676848
N-[[5-[(2,5-dimethylphenoxy)methyl]furan-2-yl]methyl]-2-methylpropan-1-amine
CID 62453755
1-[5-[(5-fluoro-2-methylphenoxy)methyl]furan-2-yl]-N-methylmethanamine
CID 102980972
1-[5-[(5-bromo-2-methylphenoxy)methyl]furan-3-yl]-N-methylmethanamine
CID 107286268
1-(5-bromo-2-methylphenoxy)-3-(propan-2-ylamino)propan-2-ol
CID 107283636
[5-[(5-bromo-2-methylphenoxy)methyl]-3-methylfuran-2-yl]methanamine
CID 107286140
N-[[5-[(2,5-dimethylphenoxy)methyl]furan-2-yl]methyl]ethanamine
CID 62453396
N-[[5-[(4-bromo-2-chlorophenoxy)methyl]furan-2-yl]methyl]-2-methylpropan-1-amine
CID 63496647
N-[[5-[(4-chlorophenoxy)methyl]furan-2-yl]methyl]propan-2-amine
CID 62453746

Frequently Asked Questions

What is the IUPAC name of N-[[5-[(5-bromo-2-methylphenoxy)methyl]furan-2-yl]methyl]propan-2-amine?
The IUPAC name of N-[[5-[(5-bromo-2-methylphenoxy)methyl]furan-2-yl]methyl]propan-2-amine (CID 107286059) is N-[[5-[(5-bromo-2-methylphenoxy)methyl]furan-2-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[5-[(5-bromo-2-methylphenoxy)methyl]furan-2-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[5-[(5-bromo-2-methylphenoxy)methyl]furan-2-yl]methyl]propan-2-amine is Cc1ccc(Br)cc1OCc1ccc(CNC(C)C)o1.
What is the InChIKey of N-[[5-[(5-bromo-2-methylphenoxy)methyl]furan-2-yl]methyl]propan-2-amine?
The InChIKey is SUCIWJLLZOWANU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20BrNO2/c1-11(2)18-9-14-6-7-15(20-14)10-19-16-8-13(17)5-4-12(16)3/h4-8,11,18H,9-10H2,1-3H3.
What are the key properties of N-[[5-[(5-bromo-2-methylphenoxy)methyl]furan-2-yl]methyl]propan-2-amine?
N-[[5-[(5-bromo-2-methylphenoxy)methyl]furan-2-yl]methyl]propan-2-amine has a molecular weight of 338.25 g/mol, XLogP of 4.43, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[(5-bromo-2-methylphenoxy)methyl]furan-2-yl]methyl]propan-2-amine is sourced from PubChem (CID 107286059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).