N-ethyl-N-[[5-(ethylaminomethyl)-2-methylfuran-3-yl]methyl]-4-fluoroaniline

C17H23FN2O — CID 62429847

IUPACN-ethyl-N-[[5-(ethylaminomethyl)-2-methylfuran-3-yl]methyl]-4-fluoroaniline
SMILESCCNCc1cc(CN(CC)c2ccc(F)cc2)c(C)o1
InChIInChI=1S/C17H23FN2O/c1-4-19-11-17-10-14(13(3)21-17)12-20(5-2)16-8-6-15(18)7-9-16/h6-10,19H,4-5,11-12H2,1-3H3
InChIKeyLMFLJBLWKBDGDU-UHFFFAOYSA-N
MW290.38 g/mol
LogP3.86
Rot. Bonds7

About N-ethyl-N-[[5-(ethylaminomethyl)-2-methylfuran-3-yl]methyl]-4-fluoroaniline

N-ethyl-N-[[5-(ethylaminomethyl)-2-methylfuran-3-yl]methyl]-4-fluoroaniline (PubChem CID 62429847) has the molecular formula C17H23FN2O and a molecular weight of 290.38 g/mol. Its IUPAC name is N-ethyl-N-[[5-(ethylaminomethyl)-2-methylfuran-3-yl]methyl]-4-fluoroaniline.

Molecular Properties

Compound NameN-ethyl-N-[[5-(ethylaminomethyl)-2-methylfuran-3-yl]methyl]-4-fluoroaniline
PubChem CID62429847
Molecular FormulaC17H23FN2O
Molecular Weight290.38 g/mol
Exact Mass290.18
IUPAC NameN-ethyl-N-[[5-(ethylaminomethyl)-2-methylfuran-3-yl]methyl]-4-fluoroaniline
SMILESCCNCc1cc(CN(CC)c2ccc(F)cc2)c(C)o1
InChIInChI=1S/C17H23FN2O/c1-4-19-11-17-10-14(13(3)21-17)12-20(5-2)16-8-6-15(18)7-9-16/h6-10,19H,4-5,11-12H2,1-3H3
InChIKeyLMFLJBLWKBDGDU-UHFFFAOYSA-N
XLogP3.86
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.38
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[4-(ethylaminomethyl)-5-methylfuran-2-yl]methyl]-4-fluoro-N-methylaniline
CID 62436049
N-[[5-[[(4-fluorophenyl)methyl-methylamino]methyl]-2-methylfuran-3-yl]methyl]ethanamine
CID 62411119
N-ethyl-N-[[4-(ethylaminomethyl)phenyl]methyl]-4-fluoroaniline
CID 62429487
N-[[5-methyl-4-[[methyl-[(4-methylphenyl)methyl]amino]methyl]furan-2-yl]methyl]ethanamine
CID 62419799
N-ethyl-N-[[3-(ethylaminomethyl)phenyl]methyl]-4-fluoroaniline
CID 62429303
4-fluoro-N-methyl-N-[[5-methyl-4-(propylaminomethyl)furan-2-yl]methyl]aniline
CID 62436050
N-ethyl-3-fluoro-N-[[5-methyl-4-(methylaminomethyl)furan-2-yl]methyl]aniline
CID 62428658
N-[[4-[[furan-3-ylmethyl(methyl)amino]methyl]-5-methylfuran-2-yl]methyl]ethanamine
CID 55072431
2-N-ethyl-2-N-[[5-(ethylaminomethyl)-2-methylfuran-3-yl]methyl]-1-N,1-N-dimethylpropane-1,2-diamine
CID 103191733
N-[[5-(ethylaminomethyl)-2-methylfuran-3-yl]methyl]-N-methylcycloheptanamine
CID 62431881
N-[[4-[(2-fluorophenoxy)methyl]-5-methylfuran-2-yl]methyl]ethanamine
CID 62454234
N-[[5-(ethylaminomethyl)-2-methylfuran-3-yl]methyl]-N,1-dimethylpiperidin-4-amine
CID 62425746

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[[5-(ethylaminomethyl)-2-methylfuran-3-yl]methyl]-4-fluoroaniline?
The IUPAC name of N-ethyl-N-[[5-(ethylaminomethyl)-2-methylfuran-3-yl]methyl]-4-fluoroaniline (CID 62429847) is N-ethyl-N-[[5-(ethylaminomethyl)-2-methylfuran-3-yl]methyl]-4-fluoroaniline.
What is the SMILES notation for N-ethyl-N-[[5-(ethylaminomethyl)-2-methylfuran-3-yl]methyl]-4-fluoroaniline?
The canonical SMILES for N-ethyl-N-[[5-(ethylaminomethyl)-2-methylfuran-3-yl]methyl]-4-fluoroaniline is CCNCc1cc(CN(CC)c2ccc(F)cc2)c(C)o1.
What is the InChIKey of N-ethyl-N-[[5-(ethylaminomethyl)-2-methylfuran-3-yl]methyl]-4-fluoroaniline?
The InChIKey is LMFLJBLWKBDGDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23FN2O/c1-4-19-11-17-10-14(13(3)21-17)12-20(5-2)16-8-6-15(18)7-9-16/h6-10,19H,4-5,11-12H2,1-3H3.
What are the key properties of N-ethyl-N-[[5-(ethylaminomethyl)-2-methylfuran-3-yl]methyl]-4-fluoroaniline?
N-ethyl-N-[[5-(ethylaminomethyl)-2-methylfuran-3-yl]methyl]-4-fluoroaniline has a molecular weight of 290.38 g/mol, XLogP of 3.86, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[[5-(ethylaminomethyl)-2-methylfuran-3-yl]methyl]-4-fluoroaniline is sourced from PubChem (CID 62429847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).