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

C16H22N2O — CID 62434588

IUPAC4-ethyl-N-methyl-N-[[3-(methylaminomethyl)furan-2-yl]methyl]aniline
SMILESCCc1ccc(N(C)Cc2occc2CNC)cc1
InChIInChI=1S/C16H22N2O/c1-4-13-5-7-15(8-6-13)18(3)12-16-14(11-17-2)9-10-19-16/h5-10,17H,4,11-12H2,1-3H3
InChIKeyDSOAWPOTLKLOSD-UHFFFAOYSA-N
MW258.37 g/mol
LogP3.20
Rot. Bonds6

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

4-ethyl-N-methyl-N-[[3-(methylaminomethyl)furan-2-yl]methyl]aniline (PubChem CID 62434588) has the molecular formula C16H22N2O and a molecular weight of 258.37 g/mol. Its IUPAC name is 4-ethyl-N-methyl-N-[[3-(methylaminomethyl)furan-2-yl]methyl]aniline.

Molecular Properties

Compound Name4-ethyl-N-methyl-N-[[3-(methylaminomethyl)furan-2-yl]methyl]aniline
PubChem CID62434588
Molecular FormulaC16H22N2O
Molecular Weight258.37 g/mol
Exact Mass258.17
IUPAC Name4-ethyl-N-methyl-N-[[3-(methylaminomethyl)furan-2-yl]methyl]aniline
SMILESCCc1ccc(N(C)Cc2occc2CNC)cc1
InChIInChI=1S/C16H22N2O/c1-4-13-5-7-15(8-6-13)18(3)12-16-14(11-17-2)9-10-19-16/h5-10,17H,4,11-12H2,1-3H3
InChIKeyDSOAWPOTLKLOSD-UHFFFAOYSA-N
XLogP3.20
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 ≤ 53.20
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

4-ethyl-N-methyl-N-[[5-methyl-4-(methylaminomethyl)furan-2-yl]methyl]aniline
CID 62434933
N-[[3-(ethylaminomethyl)furan-2-yl]methyl]-4-methoxy-N-methylaniline
CID 62435038
N,4-dimethyl-N-[[3-[(propan-2-ylamino)methyl]furan-2-yl]methyl]aniline
CID 62431569
4-fluoro-N-methyl-N-[[3-[(2-methylpropylamino)methyl]furan-2-yl]methyl]aniline
CID 62435869
N,2,4-trimethyl-N-[[3-(methylaminomethyl)furan-2-yl]methyl]aniline
CID 62436908
N,3-dimethyl-N-[[3-(methylaminomethyl)furan-2-yl]methyl]butan-2-amine
CID 62431751
N-ethyl-N-[[3-(methylaminomethyl)furan-2-yl]methyl]propan-2-amine
CID 62418170
1-[2-[[(5-bromothiophen-3-yl)methyl-methylamino]methyl]furan-3-yl]-N-methylmethanamine
CID 62462608
N-methyl-1-[2-[(4-propylphenoxy)methyl]furan-3-yl]methanamine
CID 62548754
N-[[2-[(tert-butylamino)methyl]furan-3-yl]methyl]-N,4-dimethylaniline
CID 62431053
N-[[2-[[(4-fluorophenyl)methyl-methylamino]methyl]furan-3-yl]methyl]ethanamine
CID 62413581
N,N-dimethyl-2-[[3-(methylaminomethyl)furan-2-yl]methoxy]ethanamine
CID 62458407

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-methyl-N-[[3-(methylaminomethyl)furan-2-yl]methyl]aniline?
The IUPAC name of 4-ethyl-N-methyl-N-[[3-(methylaminomethyl)furan-2-yl]methyl]aniline (CID 62434588) is 4-ethyl-N-methyl-N-[[3-(methylaminomethyl)furan-2-yl]methyl]aniline.
What is the SMILES notation for 4-ethyl-N-methyl-N-[[3-(methylaminomethyl)furan-2-yl]methyl]aniline?
The canonical SMILES for 4-ethyl-N-methyl-N-[[3-(methylaminomethyl)furan-2-yl]methyl]aniline is CCc1ccc(N(C)Cc2occc2CNC)cc1.
What is the InChIKey of 4-ethyl-N-methyl-N-[[3-(methylaminomethyl)furan-2-yl]methyl]aniline?
The InChIKey is DSOAWPOTLKLOSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O/c1-4-13-5-7-15(8-6-13)18(3)12-16-14(11-17-2)9-10-19-16/h5-10,17H,4,11-12H2,1-3H3.
What are the key properties of 4-ethyl-N-methyl-N-[[3-(methylaminomethyl)furan-2-yl]methyl]aniline?
4-ethyl-N-methyl-N-[[3-(methylaminomethyl)furan-2-yl]methyl]aniline has a molecular weight of 258.37 g/mol, XLogP of 3.20, 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-[[3-(methylaminomethyl)furan-2-yl]methyl]aniline is sourced from PubChem (CID 62434588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).