1-(furan-3-yl)-N-methyl-1-(3,4,5-trimethoxyphenyl)methanamine

C15H19NO4 — CID 115855639

IUPAC1-(furan-3-yl)-N-methyl-1-(3,4,5-trimethoxyphenyl)methanamine
SMILESCNC(c1ccoc1)c1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C15H19NO4/c1-16-14(10-5-6-20-9-10)11-7-12(17-2)15(19-4)13(8-11)18-3/h5-9,14,16H,1-4H3
InChIKeyVZQOUBUDKZDHRC-UHFFFAOYSA-N
MW277.32 g/mol
LogP2.61
Rot. Bonds6

About 1-(furan-3-yl)-N-methyl-1-(3,4,5-trimethoxyphenyl)methanamine

1-(furan-3-yl)-N-methyl-1-(3,4,5-trimethoxyphenyl)methanamine (PubChem CID 115855639) has the molecular formula C15H19NO4 and a molecular weight of 277.32 g/mol. Its IUPAC name is 1-(furan-3-yl)-N-methyl-1-(3,4,5-trimethoxyphenyl)methanamine.

Molecular Properties

Compound Name1-(furan-3-yl)-N-methyl-1-(3,4,5-trimethoxyphenyl)methanamine
PubChem CID115855639
Molecular FormulaC15H19NO4
Molecular Weight277.32 g/mol
Exact Mass277.13
IUPAC Name1-(furan-3-yl)-N-methyl-1-(3,4,5-trimethoxyphenyl)methanamine
SMILESCNC(c1ccoc1)c1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C15H19NO4/c1-16-14(10-5-6-20-9-10)11-7-12(17-2)15(19-4)13(8-11)18-3/h5-9,14,16H,1-4H3
InChIKeyVZQOUBUDKZDHRC-UHFFFAOYSA-N
XLogP2.61
TPSA52.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

furan-3-yl-(3,4,5-trimethoxyphenyl)methanamine
CID 115855557
furan-3-yl-(3,4,5-trimethoxyphenyl)methanol
CID 63948143
2-(furan-3-yl)-N-methyl-1-(3,4,5-trimethoxyphenyl)ethanamine
CID 105030112
1-(5-bromo-2-methoxy-4-methylphenyl)-1-(furan-3-yl)-N-methylmethanamine
CID 65438955
[furan-3-yl-(2,3,4-trimethoxyphenyl)methyl]hydrazine
CID 105305814
N,N'-dimethyl-1-(3,4,5-trimethoxyphenyl)methanediamine
CID 116954412
N-(furan-3-ylmethyl)-1-(3,4,5-trimethoxyphenyl)ethanamine
CID 115607208
[(4-fluoro-3-methoxyphenyl)-(furan-3-yl)methyl]hydrazine
CID 105305835
1-(3-bromophenyl)-1-(furan-3-yl)-N-methylmethanamine
CID 63948375
1-(3-chlorothiophen-2-yl)-N-methyl-1-(3,4,5-trimethoxyphenyl)methanamine
CID 80529095
1-(4-fluoro-3-methylphenyl)-1-(furan-3-yl)-N-methylmethanamine
CID 63949186
2-(methylamino)-1-(3,4,5-trimethoxyphenyl)propan-1-ol
CID 112514738

Frequently Asked Questions

What is the IUPAC name of 1-(furan-3-yl)-N-methyl-1-(3,4,5-trimethoxyphenyl)methanamine?
The IUPAC name of 1-(furan-3-yl)-N-methyl-1-(3,4,5-trimethoxyphenyl)methanamine (CID 115855639) is 1-(furan-3-yl)-N-methyl-1-(3,4,5-trimethoxyphenyl)methanamine.
What is the SMILES notation for 1-(furan-3-yl)-N-methyl-1-(3,4,5-trimethoxyphenyl)methanamine?
The canonical SMILES for 1-(furan-3-yl)-N-methyl-1-(3,4,5-trimethoxyphenyl)methanamine is CNC(c1ccoc1)c1cc(OC)c(OC)c(OC)c1.
What is the InChIKey of 1-(furan-3-yl)-N-methyl-1-(3,4,5-trimethoxyphenyl)methanamine?
The InChIKey is VZQOUBUDKZDHRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO4/c1-16-14(10-5-6-20-9-10)11-7-12(17-2)15(19-4)13(8-11)18-3/h5-9,14,16H,1-4H3.
What are the key properties of 1-(furan-3-yl)-N-methyl-1-(3,4,5-trimethoxyphenyl)methanamine?
1-(furan-3-yl)-N-methyl-1-(3,4,5-trimethoxyphenyl)methanamine has a molecular weight of 277.32 g/mol, XLogP of 2.61, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-3-yl)-N-methyl-1-(3,4,5-trimethoxyphenyl)methanamine is sourced from PubChem (CID 115855639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).