N-ethyl-2-methyl-N-[[2-(methylaminomethyl)furan-3-yl]methyl]aniline

C16H22N2O — CID 62423302

IUPACN-ethyl-2-methyl-N-[[2-(methylaminomethyl)furan-3-yl]methyl]aniline
SMILESCCN(Cc1ccoc1CNC)c1ccccc1C
InChIInChI=1S/C16H22N2O/c1-4-18(15-8-6-5-7-13(15)2)12-14-9-10-19-16(14)11-17-3/h5-10,17H,4,11-12H2,1-3H3
InChIKeySUCWKCAWUAYYBT-UHFFFAOYSA-N
MW258.37 g/mol
LogP3.33
Rot. Bonds6

About N-ethyl-2-methyl-N-[[2-(methylaminomethyl)furan-3-yl]methyl]aniline

N-ethyl-2-methyl-N-[[2-(methylaminomethyl)furan-3-yl]methyl]aniline (PubChem CID 62423302) has the molecular formula C16H22N2O and a molecular weight of 258.37 g/mol. Its IUPAC name is N-ethyl-2-methyl-N-[[2-(methylaminomethyl)furan-3-yl]methyl]aniline.

Molecular Properties

Compound NameN-ethyl-2-methyl-N-[[2-(methylaminomethyl)furan-3-yl]methyl]aniline
PubChem CID62423302
Molecular FormulaC16H22N2O
Molecular Weight258.37 g/mol
Exact Mass258.17
IUPAC NameN-ethyl-2-methyl-N-[[2-(methylaminomethyl)furan-3-yl]methyl]aniline
SMILESCCN(Cc1ccoc1CNC)c1ccccc1C
InChIInChI=1S/C16H22N2O/c1-4-18(15-8-6-5-7-13(15)2)12-14-9-10-19-16(14)11-17-3/h5-10,17H,4,11-12H2,1-3H3
InChIKeySUCWKCAWUAYYBT-UHFFFAOYSA-N
XLogP3.33
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-1-[3-[[methyl-[(2-methylphenyl)methyl]amino]methyl]furan-2-yl]methanamine
CID 62461527
N-ethyl-2-methyl-N-[[2-methyl-5-(methylaminomethyl)thiophen-3-yl]methyl]aniline
CID 80727362
methyl 3-[(N-ethyl-2-methylanilino)methyl]furan-2-carboxylate
CID 78902588
N-[[2-(aminomethyl)furan-3-yl]methyl]-N-ethyl-2-fluoroaniline
CID 62428968
N,N-diethyl-2-(methylaminomethyl)aniline
CID 43243693
3-[(N-ethyl-2-methylanilino)methyl]-N-methylpyridin-2-amine
CID 55075691
N-ethyl-N-[[2-(methylaminomethyl)furan-3-yl]methyl]cyclohexanamine
CID 62425577
N-[[2-[(cyclopropylamino)methyl]furan-3-yl]methyl]-N-ethyl-3-methylaniline
CID 62426937
N-methyl-1-[3-[[methyl-[(3-methylphenyl)methyl]amino]methyl]furan-2-yl]methanamine
CID 62413219
N-[[3-[[methyl-[(2-methylphenyl)methyl]amino]methyl]furan-2-yl]methyl]propan-1-amine
CID 62461529
N-ethyl-2-methyl-N-[[5-(methylaminomethyl)oxolan-2-yl]methyl]aniline
CID 62425314
N-methyl-1-[3-[[methyl-[(5-methylfuran-2-yl)methyl]amino]methyl]furan-2-yl]methanamine
CID 62421902

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-methyl-N-[[2-(methylaminomethyl)furan-3-yl]methyl]aniline?
The IUPAC name of N-ethyl-2-methyl-N-[[2-(methylaminomethyl)furan-3-yl]methyl]aniline (CID 62423302) is N-ethyl-2-methyl-N-[[2-(methylaminomethyl)furan-3-yl]methyl]aniline.
What is the SMILES notation for N-ethyl-2-methyl-N-[[2-(methylaminomethyl)furan-3-yl]methyl]aniline?
The canonical SMILES for N-ethyl-2-methyl-N-[[2-(methylaminomethyl)furan-3-yl]methyl]aniline is CCN(Cc1ccoc1CNC)c1ccccc1C.
What is the InChIKey of N-ethyl-2-methyl-N-[[2-(methylaminomethyl)furan-3-yl]methyl]aniline?
The InChIKey is SUCWKCAWUAYYBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O/c1-4-18(15-8-6-5-7-13(15)2)12-14-9-10-19-16(14)11-17-3/h5-10,17H,4,11-12H2,1-3H3.
What are the key properties of N-ethyl-2-methyl-N-[[2-(methylaminomethyl)furan-3-yl]methyl]aniline?
N-ethyl-2-methyl-N-[[2-(methylaminomethyl)furan-3-yl]methyl]aniline has a molecular weight of 258.37 g/mol, XLogP of 3.33, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-methyl-N-[[2-(methylaminomethyl)furan-3-yl]methyl]aniline is sourced from PubChem (CID 62423302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).