4-ethyl-N-methyl-N-[[5-methyl-4-(methylaminomethyl)furan-2-yl]methyl]aniline

C17H24N2O — CID 62434933

IUPAC4-ethyl-N-methyl-N-[[5-methyl-4-(methylaminomethyl)furan-2-yl]methyl]aniline
SMILESCCc1ccc(N(C)Cc2cc(CNC)c(C)o2)cc1
InChIInChI=1S/C17H24N2O/c1-5-14-6-8-16(9-7-14)19(4)12-17-10-15(11-18-3)13(2)20-17/h6-10,18H,5,11-12H2,1-4H3
InChIKeyNXUGUBVFQBOJAM-UHFFFAOYSA-N
MW272.39 g/mol
LogP3.51
Rot. Bonds6

About 4-ethyl-N-methyl-N-[[5-methyl-4-(methylaminomethyl)furan-2-yl]methyl]aniline

4-ethyl-N-methyl-N-[[5-methyl-4-(methylaminomethyl)furan-2-yl]methyl]aniline (PubChem CID 62434933) has the molecular formula C17H24N2O and a molecular weight of 272.39 g/mol. Its IUPAC name is 4-ethyl-N-methyl-N-[[5-methyl-4-(methylaminomethyl)furan-2-yl]methyl]aniline.

Molecular Properties

Compound Name4-ethyl-N-methyl-N-[[5-methyl-4-(methylaminomethyl)furan-2-yl]methyl]aniline
PubChem CID62434933
Molecular FormulaC17H24N2O
Molecular Weight272.39 g/mol
Exact Mass272.19
IUPAC Name4-ethyl-N-methyl-N-[[5-methyl-4-(methylaminomethyl)furan-2-yl]methyl]aniline
SMILESCCc1ccc(N(C)Cc2cc(CNC)c(C)o2)cc1
InChIInChI=1S/C17H24N2O/c1-5-14-6-8-16(9-7-14)19(4)12-17-10-15(11-18-3)13(2)20-17/h6-10,18H,5,11-12H2,1-4H3
InChIKeyNXUGUBVFQBOJAM-UHFFFAOYSA-N
XLogP3.51
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 ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

N-[[4-(ethylaminomethyl)-5-methylfuran-2-yl]methyl]-4-fluoro-N-methylaniline
CID 62436049
4-fluoro-N-methyl-N-[[5-methyl-4-(propylaminomethyl)furan-2-yl]methyl]aniline
CID 62436050
4-ethyl-N-methyl-N-[[3-(methylaminomethyl)furan-2-yl]methyl]aniline
CID 62434588
N-[[4-[(tert-butylamino)methyl]-5-methylfuran-2-yl]methyl]-N-methylaniline
CID 62438508
2-methoxy-N-methyl-N-[[5-methyl-4-(methylaminomethyl)furan-2-yl]methyl]aniline
CID 62430748
N-ethyl-3-fluoro-N-[[5-methyl-4-(methylaminomethyl)furan-2-yl]methyl]aniline
CID 62428658
N,N,N'-trimethyl-N'-[[5-methyl-4-(methylaminomethyl)furan-2-yl]methyl]ethane-1,2-diamine
CID 55228334
2,2,2-trifluoro-N-methyl-N-[[5-methyl-4-(methylaminomethyl)furan-2-yl]methyl]ethanamine
CID 55073567
1-[5-[[(3-bromophenyl)methyl-methylamino]methyl]-2-methylfuran-3-yl]-N-methylmethanamine
CID 62462530
N-ethyl-N-[[5-methyl-4-(methylaminomethyl)furan-2-yl]methyl]cyclopropanamine
CID 62421832
N-methyl-1-[2-methyl-5-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]furan-3-yl]methanamine
CID 62463336
N-methyl-N-[[2-methyl-5-(propylaminomethyl)furan-3-yl]methyl]aniline
CID 62437385

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-methyl-N-[[5-methyl-4-(methylaminomethyl)furan-2-yl]methyl]aniline?
The IUPAC name of 4-ethyl-N-methyl-N-[[5-methyl-4-(methylaminomethyl)furan-2-yl]methyl]aniline (CID 62434933) is 4-ethyl-N-methyl-N-[[5-methyl-4-(methylaminomethyl)furan-2-yl]methyl]aniline.
What is the SMILES notation for 4-ethyl-N-methyl-N-[[5-methyl-4-(methylaminomethyl)furan-2-yl]methyl]aniline?
The canonical SMILES for 4-ethyl-N-methyl-N-[[5-methyl-4-(methylaminomethyl)furan-2-yl]methyl]aniline is CCc1ccc(N(C)Cc2cc(CNC)c(C)o2)cc1.
What is the InChIKey of 4-ethyl-N-methyl-N-[[5-methyl-4-(methylaminomethyl)furan-2-yl]methyl]aniline?
The InChIKey is NXUGUBVFQBOJAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O/c1-5-14-6-8-16(9-7-14)19(4)12-17-10-15(11-18-3)13(2)20-17/h6-10,18H,5,11-12H2,1-4H3.
What are the key properties of 4-ethyl-N-methyl-N-[[5-methyl-4-(methylaminomethyl)furan-2-yl]methyl]aniline?
4-ethyl-N-methyl-N-[[5-methyl-4-(methylaminomethyl)furan-2-yl]methyl]aniline has a molecular weight of 272.39 g/mol, XLogP of 3.51, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-methyl-N-[[5-methyl-4-(methylaminomethyl)furan-2-yl]methyl]aniline is sourced from PubChem (CID 62434933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).