[5-[(5-bromo-2-methylphenoxy)methyl]-3-methylfuran-2-yl]methanamine

C14H16BrNO2 — CID 107286140

IUPAC[5-[(5-bromo-2-methylphenoxy)methyl]-3-methylfuran-2-yl]methanamine
SMILESCc1ccc(Br)cc1OCc1cc(C)c(CN)o1
InChIInChI=1S/C14H16BrNO2/c1-9-3-4-11(15)6-13(9)17-8-12-5-10(2)14(7-16)18-12/h3-6H,7-8,16H2,1-2H3
InChIKeyPMELYRSKKWQUBP-UHFFFAOYSA-N
MW310.19 g/mol
LogP3.70
Rot. Bonds4

About [5-[(5-bromo-2-methylphenoxy)methyl]-3-methylfuran-2-yl]methanamine

[5-[(5-bromo-2-methylphenoxy)methyl]-3-methylfuran-2-yl]methanamine (PubChem CID 107286140) has the molecular formula C14H16BrNO2 and a molecular weight of 310.19 g/mol. Its IUPAC name is [5-[(5-bromo-2-methylphenoxy)methyl]-3-methylfuran-2-yl]methanamine.

Molecular Properties

Compound Name[5-[(5-bromo-2-methylphenoxy)methyl]-3-methylfuran-2-yl]methanamine
PubChem CID107286140
Molecular FormulaC14H16BrNO2
Molecular Weight310.19 g/mol
Exact Mass309.04
IUPAC Name[5-[(5-bromo-2-methylphenoxy)methyl]-3-methylfuran-2-yl]methanamine
SMILESCc1ccc(Br)cc1OCc1cc(C)c(CN)o1
InChIInChI=1S/C14H16BrNO2/c1-9-3-4-11(15)6-13(9)17-8-12-5-10(2)14(7-16)18-12/h3-6H,7-8,16H2,1-2H3
InChIKeyPMELYRSKKWQUBP-UHFFFAOYSA-N
XLogP3.70
TPSA48.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.19
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [5-[(5-bromo-2-methylphenoxy)methyl]-3-methylfuran-2-yl]methanamine with MolForge

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Related Compounds

[5-[(4-bromophenyl)methoxymethyl]-3-methylfuran-2-yl]methanamine
CID 82831775
[3-[(5-bromo-2-methylphenoxy)methyl]phenyl]methanamine
CID 107283560
[3-methyl-5-[(2,4,5-trichlorophenoxy)methyl]furan-2-yl]methanamine
CID 55077682
[5-[(2-chloro-5-methylphenoxy)methyl]-3-methylfuran-2-yl]methanamine
CID 62484281
[3-[(5-bromo-2-methylphenoxy)methyl]-5-fluorophenyl]methanamine
CID 107283553
5-[(5-bromo-2-methylphenoxy)methyl]furan-2-carbaldehyde
CID 107285070
1-[5-[(4-bromo-2-propan-2-ylphenoxy)methyl]-3-methylfuran-2-yl]-N-methylmethanamine
CID 115402794
[5-[(3,4-difluorophenoxy)methyl]-3-methylfuran-2-yl]methanamine
CID 55077160
[5-[(3,5-difluorophenoxy)methyl]-3-methylfuran-2-yl]methanamine
CID 62783793
[5-[(3-ethoxyphenoxy)methyl]-3-methylfuran-2-yl]methanamine
CID 62440838
2-[(5-bromo-2-methylphenoxy)methyl]-5-nitrofuran
CID 107284289
N-[[5-[(5-bromo-2-methylphenoxy)methyl]furan-2-yl]methyl]propan-2-amine
CID 107286059

Frequently Asked Questions

What is the IUPAC name of [5-[(5-bromo-2-methylphenoxy)methyl]-3-methylfuran-2-yl]methanamine?
The IUPAC name of [5-[(5-bromo-2-methylphenoxy)methyl]-3-methylfuran-2-yl]methanamine (CID 107286140) is [5-[(5-bromo-2-methylphenoxy)methyl]-3-methylfuran-2-yl]methanamine.
What is the SMILES notation for [5-[(5-bromo-2-methylphenoxy)methyl]-3-methylfuran-2-yl]methanamine?
The canonical SMILES for [5-[(5-bromo-2-methylphenoxy)methyl]-3-methylfuran-2-yl]methanamine is Cc1ccc(Br)cc1OCc1cc(C)c(CN)o1.
What is the InChIKey of [5-[(5-bromo-2-methylphenoxy)methyl]-3-methylfuran-2-yl]methanamine?
The InChIKey is PMELYRSKKWQUBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrNO2/c1-9-3-4-11(15)6-13(9)17-8-12-5-10(2)14(7-16)18-12/h3-6H,7-8,16H2,1-2H3.
What are the key properties of [5-[(5-bromo-2-methylphenoxy)methyl]-3-methylfuran-2-yl]methanamine?
[5-[(5-bromo-2-methylphenoxy)methyl]-3-methylfuran-2-yl]methanamine has a molecular weight of 310.19 g/mol, XLogP of 3.70, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(5-bromo-2-methylphenoxy)methyl]-3-methylfuran-2-yl]methanamine is sourced from PubChem (CID 107286140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).