N-ethyl-N-[[6-(ethylaminomethyl)-2-pyridinyl]methyl]-2-fluoroaniline

C17H22FN3 — CID 106906142

IUPACN-ethyl-N-[[6-(ethylaminomethyl)-2-pyridinyl]methyl]-2-fluoroaniline
SMILESCCNCc1cccc(CN(CC)c2ccccc2F)n1
InChIInChI=1S/C17H22FN3/c1-3-19-12-14-8-7-9-15(20-14)13-21(4-2)17-11-6-5-10-16(17)18/h5-11,19H,3-4,12-13H2,1-2H3
InChIKeyWDMLFLBHGSZYIE-UHFFFAOYSA-N
MW287.38 g/mol
LogP3.36
Rot. Bonds7

About N-ethyl-N-[[6-(ethylaminomethyl)-2-pyridinyl]methyl]-2-fluoroaniline

N-ethyl-N-[[6-(ethylaminomethyl)-2-pyridinyl]methyl]-2-fluoroaniline (PubChem CID 106906142) has the molecular formula C17H22FN3 and a molecular weight of 287.38 g/mol. Its IUPAC name is N-ethyl-N-[[6-(ethylaminomethyl)-2-pyridinyl]methyl]-2-fluoroaniline.

Molecular Properties

Compound NameN-ethyl-N-[[6-(ethylaminomethyl)-2-pyridinyl]methyl]-2-fluoroaniline
PubChem CID106906142
Molecular FormulaC17H22FN3
Molecular Weight287.38 g/mol
Exact Mass287.18
IUPAC NameN-ethyl-N-[[6-(ethylaminomethyl)-2-pyridinyl]methyl]-2-fluoroaniline
SMILESCCNCc1cccc(CN(CC)c2ccccc2F)n1
InChIInChI=1S/C17H22FN3/c1-3-19-12-14-8-7-9-15(20-14)13-21(4-2)17-11-6-5-10-16(17)18/h5-11,19H,3-4,12-13H2,1-2H3
InChIKeyWDMLFLBHGSZYIE-UHFFFAOYSA-N
XLogP3.36
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.38
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[6-[[(2-fluorophenyl)methyl-methylamino]methyl]-2-pyridinyl]methyl]ethanamine
CID 106906229
N-[[6-(ethylaminomethyl)-2-pyridinyl]methyl]ethanamine
CID 11566567
N-[[6-[[(4-fluorophenyl)methyl-methylamino]methyl]-2-pyridinyl]methyl]ethanamine
CID 106905328
N-[[6-[(2-fluorophenyl)methoxymethyl]-2-pyridinyl]methyl]ethanamine
CID 106908363
N-[[2-(1-aminoethyl)-1,3-thiazol-4-yl]methyl]-N-ethyl-2-fluoroaniline
CID 66388652
N-[[6-(ethylaminomethyl)-2-pyridinyl]methyl]-N-methylpentan-3-amine
CID 106905876
2-ethoxy-N-ethyl-N-[[6-(ethylaminomethyl)-2-pyridinyl]methyl]ethanamine
CID 106906611
4-[(N-ethyl-2-fluoroanilino)methyl]-2,6-difluorophenol
CID 82981844
N-[[6-(ethylaminomethyl)-2-pyridinyl]methyl]-N,3-dimethylbutan-2-amine
CID 106905884
3-[(N-ethyl-2-fluoroanilino)methyl]phenol
CID 82981692
N-[[6-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]-2-pyridinyl]methyl]ethanamine
CID 106906102
N-benzyl-N-ethyl-4-(ethylaminomethyl)-2-fluoroaniline
CID 43281516

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[[6-(ethylaminomethyl)-2-pyridinyl]methyl]-2-fluoroaniline?
The IUPAC name of N-ethyl-N-[[6-(ethylaminomethyl)-2-pyridinyl]methyl]-2-fluoroaniline (CID 106906142) is N-ethyl-N-[[6-(ethylaminomethyl)-2-pyridinyl]methyl]-2-fluoroaniline.
What is the SMILES notation for N-ethyl-N-[[6-(ethylaminomethyl)-2-pyridinyl]methyl]-2-fluoroaniline?
The canonical SMILES for N-ethyl-N-[[6-(ethylaminomethyl)-2-pyridinyl]methyl]-2-fluoroaniline is CCNCc1cccc(CN(CC)c2ccccc2F)n1.
What is the InChIKey of N-ethyl-N-[[6-(ethylaminomethyl)-2-pyridinyl]methyl]-2-fluoroaniline?
The InChIKey is WDMLFLBHGSZYIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22FN3/c1-3-19-12-14-8-7-9-15(20-14)13-21(4-2)17-11-6-5-10-16(17)18/h5-11,19H,3-4,12-13H2,1-2H3.
What are the key properties of N-ethyl-N-[[6-(ethylaminomethyl)-2-pyridinyl]methyl]-2-fluoroaniline?
N-ethyl-N-[[6-(ethylaminomethyl)-2-pyridinyl]methyl]-2-fluoroaniline has a molecular weight of 287.38 g/mol, XLogP of 3.36, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[[6-(ethylaminomethyl)-2-pyridinyl]methyl]-2-fluoroaniline is sourced from PubChem (CID 106906142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).