1-[2-[(3,4-dimethylphenoxy)methyl]furan-3-yl]-N-methylmethanamine

C15H19NO2 — CID 62452690

IUPAC1-[2-[(3,4-dimethylphenoxy)methyl]furan-3-yl]-N-methylmethanamine
SMILESCNCc1ccoc1COc1ccc(C)c(C)c1
InChIInChI=1S/C15H19NO2/c1-11-4-5-14(8-12(11)2)18-10-15-13(9-16-3)6-7-17-15/h4-8,16H,9-10H2,1-3H3
InChIKeyJZNBDAVBYJSPAE-UHFFFAOYSA-N
MW245.32 g/mol
LogP3.19
Rot. Bonds5

About 1-[2-[(3,4-dimethylphenoxy)methyl]furan-3-yl]-N-methylmethanamine

1-[2-[(3,4-dimethylphenoxy)methyl]furan-3-yl]-N-methylmethanamine (PubChem CID 62452690) has the molecular formula C15H19NO2 and a molecular weight of 245.32 g/mol. Its IUPAC name is 1-[2-[(3,4-dimethylphenoxy)methyl]furan-3-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[2-[(3,4-dimethylphenoxy)methyl]furan-3-yl]-N-methylmethanamine
PubChem CID62452690
Molecular FormulaC15H19NO2
Molecular Weight245.32 g/mol
Exact Mass245.14
IUPAC Name1-[2-[(3,4-dimethylphenoxy)methyl]furan-3-yl]-N-methylmethanamine
SMILESCNCc1ccoc1COc1ccc(C)c(C)c1
InChIInChI=1S/C15H19NO2/c1-11-4-5-14(8-12(11)2)18-10-15-13(9-16-3)6-7-17-15/h4-8,16H,9-10H2,1-3H3
InChIKeyJZNBDAVBYJSPAE-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-[2-[(3,5-dimethylphenoxy)methyl]furan-3-yl]-N-methylmethanamine
CID 62452698
1-[2-[(3-ethoxyphenoxy)methyl]furan-3-yl]-N-methylmethanamine
CID 62441796
N-methyl-1-[2-[(4-propylphenoxy)methyl]furan-3-yl]methanamine
CID 62548754
N-methyl-1-[2-(pyridin-3-yloxymethyl)furan-3-yl]methanamine
CID 62451011
1-[2-[(2-bromo-4-methylphenoxy)methyl]furan-3-yl]-N-methylmethanamine
CID 62460344
1-[2-[(2-fluoro-5-methylphenoxy)methyl]furan-3-yl]-N-methylmethanamine
CID 64853909
1-[3-[(3,4-dichlorophenoxy)methyl]furan-2-yl]-N-methylmethanamine
CID 62485941
N-[[2-[(3-methylphenoxy)methyl]furan-3-yl]methyl]ethanamine
CID 62452706
1-[2-(3,3-dimethylbutoxymethyl)furan-3-yl]-N-methylmethanamine
CID 66225474
N-[[2-[(3-methylphenoxy)methyl]furan-3-yl]methyl]propan-2-amine
CID 62452883
1-[3-(2,3-dihydro-1H-inden-5-yloxymethyl)furan-2-yl]-N-methylmethanamine
CID 62459453
1-[3-bromo-4-[(3,4-dimethylphenoxy)methyl]phenyl]-N-methylmethanamine
CID 102773000

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(3,4-dimethylphenoxy)methyl]furan-3-yl]-N-methylmethanamine?
The IUPAC name of 1-[2-[(3,4-dimethylphenoxy)methyl]furan-3-yl]-N-methylmethanamine (CID 62452690) is 1-[2-[(3,4-dimethylphenoxy)methyl]furan-3-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[2-[(3,4-dimethylphenoxy)methyl]furan-3-yl]-N-methylmethanamine?
The canonical SMILES for 1-[2-[(3,4-dimethylphenoxy)methyl]furan-3-yl]-N-methylmethanamine is CNCc1ccoc1COc1ccc(C)c(C)c1.
What is the InChIKey of 1-[2-[(3,4-dimethylphenoxy)methyl]furan-3-yl]-N-methylmethanamine?
The InChIKey is JZNBDAVBYJSPAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO2/c1-11-4-5-14(8-12(11)2)18-10-15-13(9-16-3)6-7-17-15/h4-8,16H,9-10H2,1-3H3.
What are the key properties of 1-[2-[(3,4-dimethylphenoxy)methyl]furan-3-yl]-N-methylmethanamine?
1-[2-[(3,4-dimethylphenoxy)methyl]furan-3-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-[2-[(3,4-dimethylphenoxy)methyl]furan-3-yl]-N-methylmethanamine is sourced from PubChem (CID 62452690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).