N-[[3-(ethylaminomethyl)furan-2-yl]methyl]-N,2,4-trimethylaniline

C17H24N2O — CID 62436909

IUPACN-[[3-(ethylaminomethyl)furan-2-yl]methyl]-N,2,4-trimethylaniline
SMILESCCNCc1ccoc1CN(C)c1ccc(C)cc1C
InChIInChI=1S/C17H24N2O/c1-5-18-11-15-8-9-20-17(15)12-19(4)16-7-6-13(2)10-14(16)3/h6-10,18H,5,11-12H2,1-4H3
InChIKeySHWWSRIUMSXYMM-UHFFFAOYSA-N
MW272.39 g/mol
LogP3.64
Rot. Bonds6

About N-[[3-(ethylaminomethyl)furan-2-yl]methyl]-N,2,4-trimethylaniline

N-[[3-(ethylaminomethyl)furan-2-yl]methyl]-N,2,4-trimethylaniline (PubChem CID 62436909) has the molecular formula C17H24N2O and a molecular weight of 272.39 g/mol. Its IUPAC name is N-[[3-(ethylaminomethyl)furan-2-yl]methyl]-N,2,4-trimethylaniline.

Molecular Properties

Compound NameN-[[3-(ethylaminomethyl)furan-2-yl]methyl]-N,2,4-trimethylaniline
PubChem CID62436909
Molecular FormulaC17H24N2O
Molecular Weight272.39 g/mol
Exact Mass272.19
IUPAC NameN-[[3-(ethylaminomethyl)furan-2-yl]methyl]-N,2,4-trimethylaniline
SMILESCCNCc1ccoc1CN(C)c1ccc(C)cc1C
InChIInChI=1S/C17H24N2O/c1-5-18-11-15-8-9-20-17(15)12-19(4)16-7-6-13(2)10-14(16)3/h6-10,18H,5,11-12H2,1-4H3
InChIKeySHWWSRIUMSXYMM-UHFFFAOYSA-N
XLogP3.64
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,2,4-trimethyl-N-[[3-(methylaminomethyl)furan-2-yl]methyl]aniline
CID 62436908
4-chloro-2-(ethylaminomethyl)-N-methyl-N-[(2-methylfuran-3-yl)methyl]aniline
CID 114848876
N-[[3-(ethylaminomethyl)furan-2-yl]methyl]-4-methoxy-N-methylaniline
CID 62435038
N-[[3-(2,5-dimethylphenyl)furan-2-yl]methyl]ethanamine
CID 106887026
N-[[3-(ethylaminomethyl)furan-2-yl]methyl]-N-methylcyclopentanamine
CID 62417583
N-[[2-[[(4-fluorophenyl)methyl-methylamino]methyl]furan-3-yl]methyl]ethanamine
CID 62413581
N'-[[3-(ethylaminomethyl)furan-2-yl]methyl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine
CID 62428599
N,2,4-trimethyl-N-[[5-(propylaminomethyl)furan-2-yl]methyl]aniline
CID 62436005
5-methyl-2-[methyl-[(2-methylfuran-3-yl)methyl]amino]benzoic acid
CID 62515703
N-[[2-[[(3-chlorophenyl)methyl-methylamino]methyl]furan-3-yl]methyl]ethanamine
CID 62428885
4-(ethylaminomethyl)-N,2-dimethyl-N-[(5-methylfuran-2-yl)methyl]aniline
CID 62121534
N-(2,4-dimethylphenyl)-3-(ethylaminomethyl)-N-methylpyridin-4-amine
CID 81246461

Frequently Asked Questions

What is the IUPAC name of N-[[3-(ethylaminomethyl)furan-2-yl]methyl]-N,2,4-trimethylaniline?
The IUPAC name of N-[[3-(ethylaminomethyl)furan-2-yl]methyl]-N,2,4-trimethylaniline (CID 62436909) is N-[[3-(ethylaminomethyl)furan-2-yl]methyl]-N,2,4-trimethylaniline.
What is the SMILES notation for N-[[3-(ethylaminomethyl)furan-2-yl]methyl]-N,2,4-trimethylaniline?
The canonical SMILES for N-[[3-(ethylaminomethyl)furan-2-yl]methyl]-N,2,4-trimethylaniline is CCNCc1ccoc1CN(C)c1ccc(C)cc1C.
What is the InChIKey of N-[[3-(ethylaminomethyl)furan-2-yl]methyl]-N,2,4-trimethylaniline?
The InChIKey is SHWWSRIUMSXYMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O/c1-5-18-11-15-8-9-20-17(15)12-19(4)16-7-6-13(2)10-14(16)3/h6-10,18H,5,11-12H2,1-4H3.
What are the key properties of N-[[3-(ethylaminomethyl)furan-2-yl]methyl]-N,2,4-trimethylaniline?
N-[[3-(ethylaminomethyl)furan-2-yl]methyl]-N,2,4-trimethylaniline has a molecular weight of 272.39 g/mol, XLogP of 3.64, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(ethylaminomethyl)furan-2-yl]methyl]-N,2,4-trimethylaniline is sourced from PubChem (CID 62436909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).