1-(3,4-diethoxyphenyl)-N-methyl-1-(3-methylfuran-2-yl)methanamine

C17H23NO3 — CID 43483704

IUPAC1-(3,4-diethoxyphenyl)-N-methyl-1-(3-methylfuran-2-yl)methanamine
SMILESCCOc1ccc(C(NC)c2occc2C)cc1OCC
InChIInChI=1S/C17H23NO3/c1-5-19-14-8-7-13(11-15(14)20-6-2)16(18-4)17-12(3)9-10-21-17/h7-11,16,18H,5-6H2,1-4H3
InChIKeyBCUMPEKGNWVWFS-UHFFFAOYSA-N
MW289.38 g/mol
LogP3.69
Rot. Bonds7

About 1-(3,4-diethoxyphenyl)-N-methyl-1-(3-methylfuran-2-yl)methanamine

1-(3,4-diethoxyphenyl)-N-methyl-1-(3-methylfuran-2-yl)methanamine (PubChem CID 43483704) has the molecular formula C17H23NO3 and a molecular weight of 289.38 g/mol. Its IUPAC name is 1-(3,4-diethoxyphenyl)-N-methyl-1-(3-methylfuran-2-yl)methanamine.

Molecular Properties

Compound Name1-(3,4-diethoxyphenyl)-N-methyl-1-(3-methylfuran-2-yl)methanamine
PubChem CID43483704
Molecular FormulaC17H23NO3
Molecular Weight289.38 g/mol
Exact Mass289.17
IUPAC Name1-(3,4-diethoxyphenyl)-N-methyl-1-(3-methylfuran-2-yl)methanamine
SMILESCCOc1ccc(C(NC)c2occc2C)cc1OCC
InChIInChI=1S/C17H23NO3/c1-5-19-14-8-7-13(11-15(14)20-6-2)16(18-4)17-12(3)9-10-21-17/h7-11,16,18H,5-6H2,1-4H3
InChIKeyBCUMPEKGNWVWFS-UHFFFAOYSA-N
XLogP3.69
TPSA43.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-bromo-4-ethoxyphenyl)-N-methyl-1-(3-methylfuran-2-yl)methanamine
CID 104657492
1-(3,4-dimethylphenyl)-N-methyl-1-(3-methylfuran-2-yl)methanamine
CID 43480129
1-(4-bromophenyl)-N-methyl-1-(3-methylfuran-2-yl)methanamine
CID 43481001
N-methyl-1-(3-methylfuran-2-yl)-1-(6-methyl-3-pyridinyl)methanamine
CID 104804839
1-(2-chloro-4,5-dimethoxyphenyl)-N-methyl-1-(3-methylfuran-2-yl)methanamine
CID 43486324
N-methyl-1-(3-methylfuran-2-yl)-1-(1-propylpyrazol-4-yl)methanamine
CID 104805056
1-(2-chloro-4,5-dimethylphenyl)-N-methyl-1-(3-methylfuran-2-yl)methanamine
CID 115483955
1-(3,4-diethoxyphenyl)-N,2-dimethylpentan-1-amine
CID 43483715
1-(4-ethoxy-3-methylphenyl)-N,N'-dimethylmethanediamine
CID 116954340
1-(3-bromo-4-fluorophenyl)-1-(2-ethoxy-5-methylphenyl)-N-methylmethanamine
CID 107950559
1-(3,4-diethoxyphenyl)-2-methoxy-N,3-dimethylbutan-1-amine
CID 116720003
1-(3-ethoxyphenyl)-N-methyl-1-(2-methylfuran-3-yl)methanamine
CID 104789931

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-diethoxyphenyl)-N-methyl-1-(3-methylfuran-2-yl)methanamine?
The IUPAC name of 1-(3,4-diethoxyphenyl)-N-methyl-1-(3-methylfuran-2-yl)methanamine (CID 43483704) is 1-(3,4-diethoxyphenyl)-N-methyl-1-(3-methylfuran-2-yl)methanamine.
What is the SMILES notation for 1-(3,4-diethoxyphenyl)-N-methyl-1-(3-methylfuran-2-yl)methanamine?
The canonical SMILES for 1-(3,4-diethoxyphenyl)-N-methyl-1-(3-methylfuran-2-yl)methanamine is CCOc1ccc(C(NC)c2occc2C)cc1OCC.
What is the InChIKey of 1-(3,4-diethoxyphenyl)-N-methyl-1-(3-methylfuran-2-yl)methanamine?
The InChIKey is BCUMPEKGNWVWFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO3/c1-5-19-14-8-7-13(11-15(14)20-6-2)16(18-4)17-12(3)9-10-21-17/h7-11,16,18H,5-6H2,1-4H3.
What are the key properties of 1-(3,4-diethoxyphenyl)-N-methyl-1-(3-methylfuran-2-yl)methanamine?
1-(3,4-diethoxyphenyl)-N-methyl-1-(3-methylfuran-2-yl)methanamine has a molecular weight of 289.38 g/mol, XLogP of 3.69, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-diethoxyphenyl)-N-methyl-1-(3-methylfuran-2-yl)methanamine is sourced from PubChem (CID 43483704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).