1-[2-[(2-bromo-4-methylphenoxy)methyl]furan-3-yl]-N-methylmethanamine

C14H16BrNO2 — CID 62460344

IUPAC1-[2-[(2-bromo-4-methylphenoxy)methyl]furan-3-yl]-N-methylmethanamine
SMILESCNCc1ccoc1COc1ccc(C)cc1Br
InChIInChI=1S/C14H16BrNO2/c1-10-3-4-13(12(15)7-10)18-9-14-11(8-16-2)5-6-17-14/h3-7,16H,8-9H2,1-2H3
InChIKeyRGKATEJLSDPXPC-UHFFFAOYSA-N
MW310.19 g/mol
LogP3.65
Rot. Bonds5

About 1-[2-[(2-bromo-4-methylphenoxy)methyl]furan-3-yl]-N-methylmethanamine

1-[2-[(2-bromo-4-methylphenoxy)methyl]furan-3-yl]-N-methylmethanamine (PubChem CID 62460344) has the molecular formula C14H16BrNO2 and a molecular weight of 310.19 g/mol. Its IUPAC name is 1-[2-[(2-bromo-4-methylphenoxy)methyl]furan-3-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[2-[(2-bromo-4-methylphenoxy)methyl]furan-3-yl]-N-methylmethanamine
PubChem CID62460344
Molecular FormulaC14H16BrNO2
Molecular Weight310.19 g/mol
Exact Mass309.04
IUPAC Name1-[2-[(2-bromo-4-methylphenoxy)methyl]furan-3-yl]-N-methylmethanamine
SMILESCNCc1ccoc1COc1ccc(C)cc1Br
InChIInChI=1S/C14H16BrNO2/c1-10-3-4-13(12(15)7-10)18-9-14-11(8-16-2)5-6-17-14/h3-7,16H,8-9H2,1-2H3
InChIKeyRGKATEJLSDPXPC-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

1-[2-[(2-fluoro-5-methylphenoxy)methyl]furan-3-yl]-N-methylmethanamine
CID 64853909
1-[2-[(3,5-dimethylphenoxy)methyl]furan-3-yl]-N-methylmethanamine
CID 62452698
1-[3-[(2-tert-butyl-4-methylphenoxy)methyl]furan-2-yl]-N-methylmethanamine
CID 62449489
1-[3-[(2-methoxy-4-methylphenoxy)methyl]furan-2-yl]-N-methylmethanamine
CID 55077971
N-[[2-[(2,4-dibromophenoxy)methyl]furan-3-yl]methyl]-2-methylpropan-1-amine
CID 64712467
1-[2-[(3,4-dimethylphenoxy)methyl]furan-3-yl]-N-methylmethanamine
CID 62452690
N-[[2-[(2-methoxy-4-methylphenoxy)methyl]furan-3-yl]methyl]propan-2-amine
CID 62450301
1-[6-[(2-bromo-4-methylphenoxy)methyl]-2-pyridinyl]-N-methylmethanamine
CID 106908164
N-[[2-[(4-bromo-2-chlorophenoxy)methyl]furan-3-yl]methyl]-2-methylpropan-2-amine
CID 63496103
1-[2-(3,3-dimethylbutoxymethyl)furan-3-yl]-N-methylmethanamine
CID 66225474
1-[2-[(3-ethoxyphenoxy)methyl]furan-3-yl]-N-methylmethanamine
CID 62441796
1-[2-[(4-bromophenyl)methoxy]-5-methylphenyl]-N-methylmethanamine
CID 63323232

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(2-bromo-4-methylphenoxy)methyl]furan-3-yl]-N-methylmethanamine?
The IUPAC name of 1-[2-[(2-bromo-4-methylphenoxy)methyl]furan-3-yl]-N-methylmethanamine (CID 62460344) is 1-[2-[(2-bromo-4-methylphenoxy)methyl]furan-3-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[2-[(2-bromo-4-methylphenoxy)methyl]furan-3-yl]-N-methylmethanamine?
The canonical SMILES for 1-[2-[(2-bromo-4-methylphenoxy)methyl]furan-3-yl]-N-methylmethanamine is CNCc1ccoc1COc1ccc(C)cc1Br.
What is the InChIKey of 1-[2-[(2-bromo-4-methylphenoxy)methyl]furan-3-yl]-N-methylmethanamine?
The InChIKey is RGKATEJLSDPXPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrNO2/c1-10-3-4-13(12(15)7-10)18-9-14-11(8-16-2)5-6-17-14/h3-7,16H,8-9H2,1-2H3.
What are the key properties of 1-[2-[(2-bromo-4-methylphenoxy)methyl]furan-3-yl]-N-methylmethanamine?
1-[2-[(2-bromo-4-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-[2-[(2-bromo-4-methylphenoxy)methyl]furan-3-yl]-N-methylmethanamine is sourced from PubChem (CID 62460344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).