N-methyl-1-(5-methylfuran-2-yl)-1-(2,3,4-trimethoxyphenyl)methanamine

C16H21NO4 — CID 43589020

IUPACN-methyl-1-(5-methylfuran-2-yl)-1-(2,3,4-trimethoxyphenyl)methanamine
SMILESCNC(c1ccc(C)o1)c1ccc(OC)c(OC)c1OC
InChIInChI=1S/C16H21NO4/c1-10-6-8-12(21-10)14(17-2)11-7-9-13(18-3)16(20-5)15(11)19-4/h6-9,14,17H,1-5H3
InChIKeyHWPWZJCCJCBKOT-UHFFFAOYSA-N
MW291.35 g/mol
LogP2.92
Rot. Bonds6

About N-methyl-1-(5-methylfuran-2-yl)-1-(2,3,4-trimethoxyphenyl)methanamine

N-methyl-1-(5-methylfuran-2-yl)-1-(2,3,4-trimethoxyphenyl)methanamine (PubChem CID 43589020) has the molecular formula C16H21NO4 and a molecular weight of 291.35 g/mol. Its IUPAC name is N-methyl-1-(5-methylfuran-2-yl)-1-(2,3,4-trimethoxyphenyl)methanamine.

Molecular Properties

Compound NameN-methyl-1-(5-methylfuran-2-yl)-1-(2,3,4-trimethoxyphenyl)methanamine
PubChem CID43589020
Molecular FormulaC16H21NO4
Molecular Weight291.35 g/mol
Exact Mass291.15
IUPAC NameN-methyl-1-(5-methylfuran-2-yl)-1-(2,3,4-trimethoxyphenyl)methanamine
SMILESCNC(c1ccc(C)o1)c1ccc(OC)c(OC)c1OC
InChIInChI=1S/C16H21NO4/c1-10-6-8-12(21-10)14(17-2)11-7-9-13(18-3)16(20-5)15(11)19-4/h6-9,14,17H,1-5H3
InChIKeyHWPWZJCCJCBKOT-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-(3-fluoro-4-methoxyphenyl)-N-methyl-1-(5-methylfuran-2-yl)methanamine
CID 43487598
1-(4-chloro-3-methoxyphenyl)-N-methyl-1-(5-methylfuran-2-yl)methanamine
CID 105006756
N-methyl-1-pyridin-3-yl-1-(2,3,4-trimethoxyphenyl)methanamine
CID 43589047
1-(3-chlorothiophen-2-yl)-N-methyl-1-(2,3,4-trimethoxyphenyl)methanamine
CID 80528928
N-methyl-1-(1-methylpyrazol-4-yl)-1-(2,3,4-trimethoxyphenyl)methanamine
CID 43635857
1-cyclopropyl-N-methyl-1-(2,3,4-trimethoxyphenyl)methanamine
CID 43589051
1-(dibromomethyl)-2,3,4-trimethoxybenzene
CID 87568528
N-methyl-1-(5-methylfuran-2-yl)-1-phenylmethanamine
CID 43481483
2-ethoxy-N-methyl-1-(2,3,4-trimethoxyphenyl)ethanamine
CID 105008034
2-(5-chloro-2-methoxyphenyl)-N-methyl-1-(5-methylfuran-2-yl)ethanamine
CID 115844818
1-(1-bromoethyl)-2,3,4-trimethoxybenzene
CID 61096403
N-[(2-methoxy-5-methylphenyl)-(5-methylfuran-2-yl)methyl]ethanamine
CID 43626292

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(5-methylfuran-2-yl)-1-(2,3,4-trimethoxyphenyl)methanamine?
The IUPAC name of N-methyl-1-(5-methylfuran-2-yl)-1-(2,3,4-trimethoxyphenyl)methanamine (CID 43589020) is N-methyl-1-(5-methylfuran-2-yl)-1-(2,3,4-trimethoxyphenyl)methanamine.
What is the SMILES notation for N-methyl-1-(5-methylfuran-2-yl)-1-(2,3,4-trimethoxyphenyl)methanamine?
The canonical SMILES for N-methyl-1-(5-methylfuran-2-yl)-1-(2,3,4-trimethoxyphenyl)methanamine is CNC(c1ccc(C)o1)c1ccc(OC)c(OC)c1OC.
What is the InChIKey of N-methyl-1-(5-methylfuran-2-yl)-1-(2,3,4-trimethoxyphenyl)methanamine?
The InChIKey is HWPWZJCCJCBKOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO4/c1-10-6-8-12(21-10)14(17-2)11-7-9-13(18-3)16(20-5)15(11)19-4/h6-9,14,17H,1-5H3.
What are the key properties of N-methyl-1-(5-methylfuran-2-yl)-1-(2,3,4-trimethoxyphenyl)methanamine?
N-methyl-1-(5-methylfuran-2-yl)-1-(2,3,4-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-(5-methylfuran-2-yl)-1-(2,3,4-trimethoxyphenyl)methanamine is sourced from PubChem (CID 43589020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).