1-[5-[(5-bromo-2-methylphenoxy)methyl]furan-3-yl]-N-methylmethanamine

C14H16BrNO2 — CID 107286268

IUPAC1-[5-[(5-bromo-2-methylphenoxy)methyl]furan-3-yl]-N-methylmethanamine
SMILESCNCc1coc(COc2cc(Br)ccc2C)c1
InChIInChI=1S/C14H16BrNO2/c1-10-3-4-12(15)6-14(10)18-9-13-5-11(7-16-2)8-17-13/h3-6,8,16H,7,9H2,1-2H3
InChIKeyHHKWKAHHBPWQEE-UHFFFAOYSA-N
MW310.19 g/mol
LogP3.65
Rot. Bonds5

About 1-[5-[(5-bromo-2-methylphenoxy)methyl]furan-3-yl]-N-methylmethanamine

1-[5-[(5-bromo-2-methylphenoxy)methyl]furan-3-yl]-N-methylmethanamine (PubChem CID 107286268) has the molecular formula C14H16BrNO2 and a molecular weight of 310.19 g/mol. Its IUPAC name is 1-[5-[(5-bromo-2-methylphenoxy)methyl]furan-3-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[5-[(5-bromo-2-methylphenoxy)methyl]furan-3-yl]-N-methylmethanamine
PubChem CID107286268
Molecular FormulaC14H16BrNO2
Molecular Weight310.19 g/mol
Exact Mass309.04
IUPAC Name1-[5-[(5-bromo-2-methylphenoxy)methyl]furan-3-yl]-N-methylmethanamine
SMILESCNCc1coc(COc2cc(Br)ccc2C)c1
InChIInChI=1S/C14H16BrNO2/c1-10-3-4-12(15)6-14(10)18-9-13-5-11(7-16-2)8-17-13/h3-6,8,16H,7,9H2,1-2H3
InChIKeyHHKWKAHHBPWQEE-UHFFFAOYSA-N
XLogP3.65
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.19
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[5-[(5-bromo-2-methylphenoxy)methyl]furan-3-yl]methyl]ethanamine
CID 107286269
N-[[5-[(5-bromo-2-methylphenoxy)methyl]furan-3-yl]methyl]cyclopropanamine
CID 107286141
1-[4-[(5-bromo-2-methylphenoxy)methyl]phenyl]-N-methylmethanamine
CID 107285914
1-[5-[(2,4-difluorophenoxy)methyl]furan-3-yl]-N-methylmethanamine
CID 62450544
N-[[5-[(4-bromo-2-fluorophenoxy)methyl]furan-3-yl]methyl]-2-methylpropan-2-amine
CID 62485139
1-[5-[(4-ethyl-2-methoxyphenoxy)methyl]furan-3-yl]-N-methylmethanamine
CID 107668479
N-[[5-[(5-bromo-2-methylphenoxy)methyl]furan-2-yl]methyl]propan-2-amine
CID 107286059
N-methyl-1-[5-[(4-propan-2-ylphenoxy)methyl]furan-3-yl]methanamine
CID 62453127
N-[[5-[(4-bromo-2-fluorophenoxy)methyl]furan-3-yl]methyl]cyclopropanamine
CID 62484964
N-[[5-[(2-bromo-4-methylphenoxy)methyl]furan-3-yl]methyl]-2-methylpropan-2-amine
CID 62460696
[5-[(5-bromo-2-methylphenoxy)methyl]-3-methylfuran-2-yl]methanamine
CID 107286140
2-[(5-bromo-2-methylphenoxy)methyl]-5-nitrofuran
CID 107284289

Frequently Asked Questions

What is the IUPAC name of 1-[5-[(5-bromo-2-methylphenoxy)methyl]furan-3-yl]-N-methylmethanamine?
The IUPAC name of 1-[5-[(5-bromo-2-methylphenoxy)methyl]furan-3-yl]-N-methylmethanamine (CID 107286268) is 1-[5-[(5-bromo-2-methylphenoxy)methyl]furan-3-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[5-[(5-bromo-2-methylphenoxy)methyl]furan-3-yl]-N-methylmethanamine?
The canonical SMILES for 1-[5-[(5-bromo-2-methylphenoxy)methyl]furan-3-yl]-N-methylmethanamine is CNCc1coc(COc2cc(Br)ccc2C)c1.
What is the InChIKey of 1-[5-[(5-bromo-2-methylphenoxy)methyl]furan-3-yl]-N-methylmethanamine?
The InChIKey is HHKWKAHHBPWQEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrNO2/c1-10-3-4-12(15)6-14(10)18-9-13-5-11(7-16-2)8-17-13/h3-6,8,16H,7,9H2,1-2H3.
What are the key properties of 1-[5-[(5-bromo-2-methylphenoxy)methyl]furan-3-yl]-N-methylmethanamine?
1-[5-[(5-bromo-2-methylphenoxy)methyl]furan-3-yl]-N-methylmethanamine has a molecular weight of 310.19 g/mol, XLogP of 3.65, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[(5-bromo-2-methylphenoxy)methyl]furan-3-yl]-N-methylmethanamine is sourced from PubChem (CID 107286268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).