N-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]furan-2-amine

C15H19NO4 — CID 121004838

IUPACN-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]furan-2-amine
SMILESCOc1cc(CN(C)c2ccco2)cc(OC)c1OC
InChIInChI=1S/C15H19NO4/c1-16(14-6-5-7-20-14)10-11-8-12(17-2)15(19-4)13(9-11)18-3/h5-9H,10H2,1-4H3
InChIKeyOYBMUDIJYPWOJY-UHFFFAOYSA-N
MW277.32 g/mol
LogP2.94
Rot. Bonds6

About N-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]furan-2-amine

N-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]furan-2-amine (PubChem CID 121004838) has the molecular formula C15H19NO4 and a molecular weight of 277.32 g/mol. Its IUPAC name is N-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]furan-2-amine.

Molecular Properties

Compound NameN-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]furan-2-amine
PubChem CID121004838
Molecular FormulaC15H19NO4
Molecular Weight277.32 g/mol
Exact Mass277.13
IUPAC NameN-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]furan-2-amine
SMILESCOc1cc(CN(C)c2ccco2)cc(OC)c1OC
InChIInChI=1S/C15H19NO4/c1-16(14-6-5-7-20-14)10-11-8-12(17-2)15(19-4)13(9-11)18-3/h5-9H,10H2,1-4H3
InChIKeyOYBMUDIJYPWOJY-UHFFFAOYSA-N
XLogP2.94
TPSA44.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[methyl-[(3,4,5-trimethoxyphenyl)methyl]amino]methanol
CID 115229222
N-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]propan-2-amine
CID 117044084
N-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide
CID 90854315
3-methoxy-N-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide
CID 113095830
1-(furan-2-ylmethyl)-3-[2-(3,4,5-trimethoxyphenyl)ethyl]urea
CID 113217080
N-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]butan-1-amine
CID 3537775
N-[(3R)-1,1-dioxothiolan-3-yl]-N-[(3,4,5-trimethoxyphenyl)methyl]furan-2-carboxamide
CID 40643700
5-(bromomethyl)-1,2,3-tri((113C)methoxy)benzene
CID 71752807
1-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-methyl-3-[(3,4,5-trimethoxyphenyl)methyl]guanidine;hydroiodide
CID 111376145
2-chloro-N-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide
CID 113095840
N-methyl-N-[[2-(3-methylphenyl)-1,3-oxazol-4-yl]methyl]-1-(3,4,5-trimethoxyphenyl)methanamine
CID 56661925
3-(2-chloro-4-methylphenyl)-1-(furan-2-ylmethyl)-1-[(3,4,5-trimethoxyphenyl)methyl]thiourea
CID 17369593

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]furan-2-amine?
The IUPAC name of N-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]furan-2-amine (CID 121004838) is N-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]furan-2-amine.
What is the SMILES notation for N-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]furan-2-amine?
The canonical SMILES for N-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]furan-2-amine is COc1cc(CN(C)c2ccco2)cc(OC)c1OC.
What is the InChIKey of N-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]furan-2-amine?
The InChIKey is OYBMUDIJYPWOJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO4/c1-16(14-6-5-7-20-14)10-11-8-12(17-2)15(19-4)13(9-11)18-3/h5-9H,10H2,1-4H3.
What are the key properties of N-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]furan-2-amine?
N-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]furan-2-amine has a molecular weight of 277.32 g/mol, XLogP of 2.94, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]furan-2-amine is sourced from PubChem (CID 121004838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).