furan-3-yl-(3,4,5-trimethoxyphenyl)methanamine

C14H17NO4 — CID 115855557

IUPACfuran-3-yl-(3,4,5-trimethoxyphenyl)methanamine
SMILESCOc1cc(C(N)c2ccoc2)cc(OC)c1OC
InChIInChI=1S/C14H17NO4/c1-16-11-6-10(7-12(17-2)14(11)18-3)13(15)9-4-5-19-8-9/h4-8,13H,15H2,1-3H3
InChIKeyCBEKQAWLIIQWRV-UHFFFAOYSA-N
MW263.29 g/mol
LogP2.35
Rot. Bonds5

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

furan-3-yl-(3,4,5-trimethoxyphenyl)methanamine (PubChem CID 115855557) has the molecular formula C14H17NO4 and a molecular weight of 263.29 g/mol. Its IUPAC name is furan-3-yl-(3,4,5-trimethoxyphenyl)methanamine.

Molecular Properties

Compound Namefuran-3-yl-(3,4,5-trimethoxyphenyl)methanamine
PubChem CID115855557
Molecular FormulaC14H17NO4
Molecular Weight263.29 g/mol
Exact Mass263.12
IUPAC Namefuran-3-yl-(3,4,5-trimethoxyphenyl)methanamine
SMILESCOc1cc(C(N)c2ccoc2)cc(OC)c1OC
InChIInChI=1S/C14H17NO4/c1-16-11-6-10(7-12(17-2)14(11)18-3)13(15)9-4-5-19-8-9/h4-8,13H,15H2,1-3H3
InChIKeyCBEKQAWLIIQWRV-UHFFFAOYSA-N
XLogP2.35
TPSA66.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.29
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze furan-3-yl-(3,4,5-trimethoxyphenyl)methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

furan-3-yl-(3,4,5-trimethoxyphenyl)methanol
CID 63948143
1-(furan-3-yl)-N-methyl-1-(3,4,5-trimethoxyphenyl)methanamine
CID 115855639
(2-chloro-4,5-dimethoxyphenyl)-(furan-3-yl)methanamine
CID 43384504
(4-fluorophenyl)-(3,4,5-trimethoxyphenyl)methanamine
CID 24688997
(3,4-dimethylphenyl)-(furan-3-yl)methanamine
CID 43464604
(3,5-dichlorophenyl)-(furan-3-yl)methanamine
CID 115855603
(4-bromo-3,5-dimethylphenyl)-(furan-3-yl)methanamine
CID 114330324
N-(furan-3-ylmethyl)-1-(3,4,5-trimethoxyphenyl)ethanamine
CID 115607208
2-(furan-3-yl)-N-methyl-1-(3,4,5-trimethoxyphenyl)ethanamine
CID 105030112
[furan-3-yl-(2,3,4-trimethoxyphenyl)methyl]hydrazine
CID 105305814
1,2,4-oxadiazol-3-yl-(3,4,5-trimethoxyphenyl)methanamine
CID 43559200
6,7-dimethoxycyclopenta[c]pyran
CID 174854625

Frequently Asked Questions

What is the IUPAC name of furan-3-yl-(3,4,5-trimethoxyphenyl)methanamine?
The IUPAC name of furan-3-yl-(3,4,5-trimethoxyphenyl)methanamine (CID 115855557) is furan-3-yl-(3,4,5-trimethoxyphenyl)methanamine.
What is the SMILES notation for furan-3-yl-(3,4,5-trimethoxyphenyl)methanamine?
The canonical SMILES for furan-3-yl-(3,4,5-trimethoxyphenyl)methanamine is COc1cc(C(N)c2ccoc2)cc(OC)c1OC.
What is the InChIKey of furan-3-yl-(3,4,5-trimethoxyphenyl)methanamine?
The InChIKey is CBEKQAWLIIQWRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO4/c1-16-11-6-10(7-12(17-2)14(11)18-3)13(15)9-4-5-19-8-9/h4-8,13H,15H2,1-3H3.
What are the key properties of furan-3-yl-(3,4,5-trimethoxyphenyl)methanamine?
furan-3-yl-(3,4,5-trimethoxyphenyl)methanamine has a molecular weight of 263.29 g/mol, XLogP of 2.35, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for furan-3-yl-(3,4,5-trimethoxyphenyl)methanamine is sourced from PubChem (CID 115855557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).