N-methyl-1-(2-methylfuran-3-yl)-1-(2,4,6-trimethoxyphenyl)methanamine

C16H21NO4 — CID 43482991

IUPACN-methyl-1-(2-methylfuran-3-yl)-1-(2,4,6-trimethoxyphenyl)methanamine
SMILESCNC(c1ccoc1C)c1c(OC)cc(OC)cc1OC
InChIInChI=1S/C16H21NO4/c1-10-12(6-7-21-10)16(17-2)15-13(19-4)8-11(18-3)9-14(15)20-5/h6-9,16-17H,1-5H3
InChIKeyNKHWNRIJYQMGEQ-UHFFFAOYSA-N
MW291.35 g/mol
LogP2.92
Rot. Bonds6

About N-methyl-1-(2-methylfuran-3-yl)-1-(2,4,6-trimethoxyphenyl)methanamine

N-methyl-1-(2-methylfuran-3-yl)-1-(2,4,6-trimethoxyphenyl)methanamine (PubChem CID 43482991) has the molecular formula C16H21NO4 and a molecular weight of 291.35 g/mol. Its IUPAC name is N-methyl-1-(2-methylfuran-3-yl)-1-(2,4,6-trimethoxyphenyl)methanamine.

Molecular Properties

Compound NameN-methyl-1-(2-methylfuran-3-yl)-1-(2,4,6-trimethoxyphenyl)methanamine
PubChem CID43482991
Molecular FormulaC16H21NO4
Molecular Weight291.35 g/mol
Exact Mass291.15
IUPAC NameN-methyl-1-(2-methylfuran-3-yl)-1-(2,4,6-trimethoxyphenyl)methanamine
SMILESCNC(c1ccoc1C)c1c(OC)cc(OC)cc1OC
InChIInChI=1S/C16H21NO4/c1-10-12(6-7-21-10)16(17-2)15-13(19-4)8-11(18-3)9-14(15)20-5/h6-9,16-17H,1-5H3
InChIKeyNKHWNRIJYQMGEQ-UHFFFAOYSA-N
XLogP2.92
TPSA52.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(5-chloro-2-methoxyphenyl)-N-methyl-1-(2-methylfuran-3-yl)methanamine
CID 104545900
N-methyl-1-(2-methylfuran-3-yl)-1-(2,4,6-trimethylphenyl)methanamine
CID 43484197
N-methyl-1-(2-methylfuran-3-yl)-1-(2,3,5,6-tetramethylphenyl)methanamine
CID 43483972
N-[(3,5-dimethoxyphenyl)-(2-methylfuran-3-yl)methyl]ethanamine
CID 104790226
1-(2-chloro-4,5-dimethylphenyl)-N-methyl-1-(2-methylfuran-3-yl)methanamine
CID 113319429
(2,4-dimethoxyphenyl)-(2-methylfuran-3-yl)methanol
CID 61086779
1-(3,5-dimethylphenyl)-N-methyl-1-(2-methylfuran-3-yl)methanamine
CID 113453366
1-(2-ethoxyphenyl)-N-methyl-1-(2-methylfuran-3-yl)methanamine
CID 104789858
1-(3-ethoxyphenyl)-N-methyl-1-(2-methylfuran-3-yl)methanamine
CID 104789931
1-(2,4-dimethoxyphenyl)-N-methyl-1-(5-methylfuran-3-yl)methanamine
CID 114819922
N-methyl-1-(2,4,6-trimethoxyphenyl)ethanamine
CID 43483000
1-(2,4-dimethoxyphenyl)-N-methyl-2-(2-methylfuran-3-yl)sulfanylethanamine
CID 107784147

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(2-methylfuran-3-yl)-1-(2,4,6-trimethoxyphenyl)methanamine?
The IUPAC name of N-methyl-1-(2-methylfuran-3-yl)-1-(2,4,6-trimethoxyphenyl)methanamine (CID 43482991) is N-methyl-1-(2-methylfuran-3-yl)-1-(2,4,6-trimethoxyphenyl)methanamine.
What is the SMILES notation for N-methyl-1-(2-methylfuran-3-yl)-1-(2,4,6-trimethoxyphenyl)methanamine?
The canonical SMILES for N-methyl-1-(2-methylfuran-3-yl)-1-(2,4,6-trimethoxyphenyl)methanamine is CNC(c1ccoc1C)c1c(OC)cc(OC)cc1OC.
What is the InChIKey of N-methyl-1-(2-methylfuran-3-yl)-1-(2,4,6-trimethoxyphenyl)methanamine?
The InChIKey is NKHWNRIJYQMGEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO4/c1-10-12(6-7-21-10)16(17-2)15-13(19-4)8-11(18-3)9-14(15)20-5/h6-9,16-17H,1-5H3.
What are the key properties of N-methyl-1-(2-methylfuran-3-yl)-1-(2,4,6-trimethoxyphenyl)methanamine?
N-methyl-1-(2-methylfuran-3-yl)-1-(2,4,6-trimethoxyphenyl)methanamine has a molecular weight of 291.35 g/mol, XLogP of 2.92, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(2-methylfuran-3-yl)-1-(2,4,6-trimethoxyphenyl)methanamine is sourced from PubChem (CID 43482991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).