1-[5-[(3,5-dimethylphenoxy)methyl]furan-2-yl]-N-methylmethanamine

C15H19NO2 — CID 62453412

IUPAC1-[5-[(3,5-dimethylphenoxy)methyl]furan-2-yl]-N-methylmethanamine
SMILESCNCc1ccc(COc2cc(C)cc(C)c2)o1
InChIInChI=1S/C15H19NO2/c1-11-6-12(2)8-15(7-11)17-10-14-5-4-13(18-14)9-16-3/h4-8,16H,9-10H2,1-3H3
InChIKeyLOOYQSOLTOSLFE-UHFFFAOYSA-N
MW245.32 g/mol
LogP3.19
Rot. Bonds5

About 1-[5-[(3,5-dimethylphenoxy)methyl]furan-2-yl]-N-methylmethanamine

1-[5-[(3,5-dimethylphenoxy)methyl]furan-2-yl]-N-methylmethanamine (PubChem CID 62453412) has the molecular formula C15H19NO2 and a molecular weight of 245.32 g/mol. Its IUPAC name is 1-[5-[(3,5-dimethylphenoxy)methyl]furan-2-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[5-[(3,5-dimethylphenoxy)methyl]furan-2-yl]-N-methylmethanamine
PubChem CID62453412
Molecular FormulaC15H19NO2
Molecular Weight245.32 g/mol
Exact Mass245.14
IUPAC Name1-[5-[(3,5-dimethylphenoxy)methyl]furan-2-yl]-N-methylmethanamine
SMILESCNCc1ccc(COc2cc(C)cc(C)c2)o1
InChIInChI=1S/C15H19NO2/c1-11-6-12(2)8-15(7-11)17-10-14-5-4-13(18-14)9-16-3/h4-8,16H,9-10H2,1-3H3
InChIKeyLOOYQSOLTOSLFE-UHFFFAOYSA-N
XLogP3.19
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[5-[(4-chloro-3,5-dimethylphenoxy)methyl]furan-2-yl]-N-methylmethanamine
CID 55076921
1-[5-[(3,5-difluorophenoxy)methyl]furan-2-yl]-N-methylmethanamine
CID 62783791
1-[5-[(3,5-dimethylphenoxy)methyl]-1,2-oxazol-3-yl]-N-methylmethanamine
CID 62454455
N-methyl-1-[5-(naphthalen-2-yloxymethyl)furan-2-yl]methanamine
CID 62460500
1-[5-[(3-bromo-5-fluorophenoxy)methyl]furan-2-yl]-N-methylmethanamine
CID 81326085
1-[5-[(3-bromophenoxy)methyl]furan-2-yl]-N-methylmethanamine
CID 62459188
5-[(3,5-dimethylphenoxy)methyl]furan-2-carboxylic acid
CID 725878
1-[5-[(3-ethylphenoxy)methyl]furan-2-yl]-N-methylmethanamine
CID 62452138
N-methyl-1-[5-[[4-(trifluoromethyl)phenoxy]methyl]furan-2-yl]methanamine
CID 62441293
1-[5-[[3-(methoxymethyl)phenoxy]methyl]furan-2-yl]-N-methylmethanamine
CID 63986399
5-[(3,5-dimethylphenoxy)methyl]furan-2-carbaldehyde
CID 7019247
1-[5-[(5-fluoro-2-methylphenoxy)methyl]furan-2-yl]-N-methylmethanamine
CID 102980972

Frequently Asked Questions

What is the IUPAC name of 1-[5-[(3,5-dimethylphenoxy)methyl]furan-2-yl]-N-methylmethanamine?
The IUPAC name of 1-[5-[(3,5-dimethylphenoxy)methyl]furan-2-yl]-N-methylmethanamine (CID 62453412) is 1-[5-[(3,5-dimethylphenoxy)methyl]furan-2-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[5-[(3,5-dimethylphenoxy)methyl]furan-2-yl]-N-methylmethanamine?
The canonical SMILES for 1-[5-[(3,5-dimethylphenoxy)methyl]furan-2-yl]-N-methylmethanamine is CNCc1ccc(COc2cc(C)cc(C)c2)o1.
What is the InChIKey of 1-[5-[(3,5-dimethylphenoxy)methyl]furan-2-yl]-N-methylmethanamine?
The InChIKey is LOOYQSOLTOSLFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO2/c1-11-6-12(2)8-15(7-11)17-10-14-5-4-13(18-14)9-16-3/h4-8,16H,9-10H2,1-3H3.
What are the key properties of 1-[5-[(3,5-dimethylphenoxy)methyl]furan-2-yl]-N-methylmethanamine?
1-[5-[(3,5-dimethylphenoxy)methyl]furan-2-yl]-N-methylmethanamine has a molecular weight of 245.32 g/mol, XLogP of 3.19, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[(3,5-dimethylphenoxy)methyl]furan-2-yl]-N-methylmethanamine is sourced from PubChem (CID 62453412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).