N,2,4-trimethyl-N-[[3-(methylaminomethyl)furan-2-yl]methyl]aniline

C16H22N2O — CID 62436908

IUPACN,2,4-trimethyl-N-[[3-(methylaminomethyl)furan-2-yl]methyl]aniline
SMILESCNCc1ccoc1CN(C)c1ccc(C)cc1C
InChIInChI=1S/C16H22N2O/c1-12-5-6-15(13(2)9-12)18(4)11-16-14(10-17-3)7-8-19-16/h5-9,17H,10-11H2,1-4H3
InChIKeyZPYCKAUSPSPVDB-UHFFFAOYSA-N
MW258.37 g/mol
LogP3.25
Rot. Bonds5

About N,2,4-trimethyl-N-[[3-(methylaminomethyl)furan-2-yl]methyl]aniline

N,2,4-trimethyl-N-[[3-(methylaminomethyl)furan-2-yl]methyl]aniline (PubChem CID 62436908) has the molecular formula C16H22N2O and a molecular weight of 258.37 g/mol. Its IUPAC name is N,2,4-trimethyl-N-[[3-(methylaminomethyl)furan-2-yl]methyl]aniline.

Molecular Properties

Compound NameN,2,4-trimethyl-N-[[3-(methylaminomethyl)furan-2-yl]methyl]aniline
PubChem CID62436908
Molecular FormulaC16H22N2O
Molecular Weight258.37 g/mol
Exact Mass258.17
IUPAC NameN,2,4-trimethyl-N-[[3-(methylaminomethyl)furan-2-yl]methyl]aniline
SMILESCNCc1ccoc1CN(C)c1ccc(C)cc1C
InChIInChI=1S/C16H22N2O/c1-12-5-6-15(13(2)9-12)18(4)11-16-14(10-17-3)7-8-19-16/h5-9,17H,10-11H2,1-4H3
InChIKeyZPYCKAUSPSPVDB-UHFFFAOYSA-N
XLogP3.25
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,2,4-trimethyl-N-[[3-(methylaminomethyl)furan-2-yl]methyl]aniline?
The IUPAC name of N,2,4-trimethyl-N-[[3-(methylaminomethyl)furan-2-yl]methyl]aniline (CID 62436908) is N,2,4-trimethyl-N-[[3-(methylaminomethyl)furan-2-yl]methyl]aniline.
What is the SMILES notation for N,2,4-trimethyl-N-[[3-(methylaminomethyl)furan-2-yl]methyl]aniline?
The canonical SMILES for N,2,4-trimethyl-N-[[3-(methylaminomethyl)furan-2-yl]methyl]aniline is CNCc1ccoc1CN(C)c1ccc(C)cc1C.
What is the InChIKey of N,2,4-trimethyl-N-[[3-(methylaminomethyl)furan-2-yl]methyl]aniline?
The InChIKey is ZPYCKAUSPSPVDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O/c1-12-5-6-15(13(2)9-12)18(4)11-16-14(10-17-3)7-8-19-16/h5-9,17H,10-11H2,1-4H3.
What are the key properties of N,2,4-trimethyl-N-[[3-(methylaminomethyl)furan-2-yl]methyl]aniline?
N,2,4-trimethyl-N-[[3-(methylaminomethyl)furan-2-yl]methyl]aniline has a molecular weight of 258.37 g/mol, XLogP of 3.25, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,2,4-trimethyl-N-[[3-(methylaminomethyl)furan-2-yl]methyl]aniline is sourced from PubChem (CID 62436908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).