(2-methylfuran-3-yl)-(2,3,4-trimethoxyphenyl)methanamine

C15H19NO4 — CID 43588995

IUPAC(2-methylfuran-3-yl)-(2,3,4-trimethoxyphenyl)methanamine
SMILESCOc1ccc(C(N)c2ccoc2C)c(OC)c1OC
InChIInChI=1S/C15H19NO4/c1-9-10(7-8-20-9)13(16)11-5-6-12(17-2)15(19-4)14(11)18-3/h5-8,13H,16H2,1-4H3
InChIKeyTVOBWHUZYPNEDR-UHFFFAOYSA-N
MW277.32 g/mol
LogP2.66
Rot. Bonds5

About (2-methylfuran-3-yl)-(2,3,4-trimethoxyphenyl)methanamine

(2-methylfuran-3-yl)-(2,3,4-trimethoxyphenyl)methanamine (PubChem CID 43588995) has the molecular formula C15H19NO4 and a molecular weight of 277.32 g/mol. Its IUPAC name is (2-methylfuran-3-yl)-(2,3,4-trimethoxyphenyl)methanamine.

Molecular Properties

Compound Name(2-methylfuran-3-yl)-(2,3,4-trimethoxyphenyl)methanamine
PubChem CID43588995
Molecular FormulaC15H19NO4
Molecular Weight277.32 g/mol
Exact Mass277.13
IUPAC Name(2-methylfuran-3-yl)-(2,3,4-trimethoxyphenyl)methanamine
SMILESCOc1ccc(C(N)c2ccoc2C)c(OC)c1OC
InChIInChI=1S/C15H19NO4/c1-9-10(7-8-20-9)13(16)11-5-6-12(17-2)15(19-4)14(11)18-3/h5-8,13H,16H2,1-4H3
InChIKeyTVOBWHUZYPNEDR-UHFFFAOYSA-N
XLogP2.66
TPSA66.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3-bromo-2,4-dimethoxyphenyl)-(2-bromofuran-3-yl)methanamine
CID 106851976
(2-methylthiophen-3-yl)-(2,3,4-trimethoxyphenyl)methanamine
CID 102840906
2-bromo-3-[bromo-(2,3,4-trimethoxyphenyl)methyl]furan
CID 106855607
(4-fluorophenyl)-(2,3,4-trimethoxyphenyl)methanamine
CID 43589009
(3-methylfuran-2-yl)-(2,3,4-trimethoxyphenyl)methanol
CID 61082570
(2-methylfuran-3-yl)-quinolin-5-ylmethanamine
CID 104789805
(2R)-2-amino-2-(2,3,4-trimethoxyphenyl)ethanol
CID 42579797
(4-methoxy-3-methylphenyl)-(2-methylfuran-3-yl)methanol
CID 61082456
(2,4-dimethoxyphenyl)-(2-methylfuran-3-yl)methanol
CID 61086779
1-(dibromomethyl)-2,3,4-trimethoxybenzene
CID 87568528
(2-methylfuran-3-yl)-(4-methylphenyl)methanamine
CID 43463987
(1-methylpyrazol-3-yl)-(2,3,4-trimethoxyphenyl)methanamine
CID 103134348

Frequently Asked Questions

What is the IUPAC name of (2-methylfuran-3-yl)-(2,3,4-trimethoxyphenyl)methanamine?
The IUPAC name of (2-methylfuran-3-yl)-(2,3,4-trimethoxyphenyl)methanamine (CID 43588995) is (2-methylfuran-3-yl)-(2,3,4-trimethoxyphenyl)methanamine.
What is the SMILES notation for (2-methylfuran-3-yl)-(2,3,4-trimethoxyphenyl)methanamine?
The canonical SMILES for (2-methylfuran-3-yl)-(2,3,4-trimethoxyphenyl)methanamine is COc1ccc(C(N)c2ccoc2C)c(OC)c1OC.
What is the InChIKey of (2-methylfuran-3-yl)-(2,3,4-trimethoxyphenyl)methanamine?
The InChIKey is TVOBWHUZYPNEDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO4/c1-9-10(7-8-20-9)13(16)11-5-6-12(17-2)15(19-4)14(11)18-3/h5-8,13H,16H2,1-4H3.
What are the key properties of (2-methylfuran-3-yl)-(2,3,4-trimethoxyphenyl)methanamine?
(2-methylfuran-3-yl)-(2,3,4-trimethoxyphenyl)methanamine has a molecular weight of 277.32 g/mol, XLogP of 2.66, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylfuran-3-yl)-(2,3,4-trimethoxyphenyl)methanamine is sourced from PubChem (CID 43588995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).