3-(ethylaminomethyl)-5-fluoro-N-methyl-N-[(6-methyl-2-pyridinyl)methyl]aniline

C17H22FN3 — CID 106532950

IUPAC3-(ethylaminomethyl)-5-fluoro-N-methyl-N-[(6-methyl-2-pyridinyl)methyl]aniline
SMILESCCNCc1cc(F)cc(N(C)Cc2cccc(C)n2)c1
InChIInChI=1S/C17H22FN3/c1-4-19-11-14-8-15(18)10-17(9-14)21(3)12-16-7-5-6-13(2)20-16/h5-10,19H,4,11-12H2,1-3H3
InChIKeyJEKQYSKOXAJDFB-UHFFFAOYSA-N
MW287.38 g/mol
LogP3.28
Rot. Bonds6

About 3-(ethylaminomethyl)-5-fluoro-N-methyl-N-[(6-methyl-2-pyridinyl)methyl]aniline

3-(ethylaminomethyl)-5-fluoro-N-methyl-N-[(6-methyl-2-pyridinyl)methyl]aniline (PubChem CID 106532950) has the molecular formula C17H22FN3 and a molecular weight of 287.38 g/mol. Its IUPAC name is 3-(ethylaminomethyl)-5-fluoro-N-methyl-N-[(6-methyl-2-pyridinyl)methyl]aniline.

Molecular Properties

Compound Name3-(ethylaminomethyl)-5-fluoro-N-methyl-N-[(6-methyl-2-pyridinyl)methyl]aniline
PubChem CID106532950
Molecular FormulaC17H22FN3
Molecular Weight287.38 g/mol
Exact Mass287.18
IUPAC Name3-(ethylaminomethyl)-5-fluoro-N-methyl-N-[(6-methyl-2-pyridinyl)methyl]aniline
SMILESCCNCc1cc(F)cc(N(C)Cc2cccc(C)n2)c1
InChIInChI=1S/C17H22FN3/c1-4-19-11-14-8-15(18)10-17(9-14)21(3)12-16-7-5-6-13(2)20-16/h5-10,19H,4,11-12H2,1-3H3
InChIKeyJEKQYSKOXAJDFB-UHFFFAOYSA-N
XLogP3.28
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.38
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(aminomethyl)-5-fluoro-N-methyl-N-[(6-methyl-2-pyridinyl)methyl]aniline
CID 102814188
N-[(3,5-difluorophenyl)methyl]-1-(6-methyl-2-pyridinyl)methanamine
CID 115767649
N-[[5-[[methyl-[(6-methyl-2-pyridinyl)methyl]amino]methyl]thiophen-2-yl]methyl]ethanamine
CID 107557224
N-[[6-[[(4-fluorophenyl)methyl-methylamino]methyl]-2-pyridinyl]methyl]ethanamine
CID 106905328
3-(ethylaminomethyl)-5-fluoro-N-methyl-N-(2-propan-2-yloxyethyl)aniline
CID 106532961
N-[[3-fluoro-4-[(6-methyl-2-pyridinyl)methoxy]phenyl]methyl]ethanamine
CID 107686985
3-(ethylaminomethyl)-5-fluoro-N-methyl-N-(4-methylpentan-2-yl)aniline
CID 106532725
1-(6-methyl-2-pyridinyl)-N-[(6-methyl-2-pyridinyl)methyl]methanamine
CID 15491901
6-[(3-fluoro-N-methylanilino)methyl]-N-methylpyridin-2-amine
CID 79243204
6-fluoro-N-methyl-N-[(6-methyl-2-pyridinyl)methyl]pyrimidin-4-amine
CID 115417200
2-chloro-N-methyl-N-[(6-methyl-2-pyridinyl)methyl]pyridin-4-amine
CID 102824317
4-(ethylaminomethyl)-2,6-difluoro-N-(3-fluorophenyl)-N-methylaniline
CID 63075774

Frequently Asked Questions

What is the IUPAC name of 3-(ethylaminomethyl)-5-fluoro-N-methyl-N-[(6-methyl-2-pyridinyl)methyl]aniline?
The IUPAC name of 3-(ethylaminomethyl)-5-fluoro-N-methyl-N-[(6-methyl-2-pyridinyl)methyl]aniline (CID 106532950) is 3-(ethylaminomethyl)-5-fluoro-N-methyl-N-[(6-methyl-2-pyridinyl)methyl]aniline.
What is the SMILES notation for 3-(ethylaminomethyl)-5-fluoro-N-methyl-N-[(6-methyl-2-pyridinyl)methyl]aniline?
The canonical SMILES for 3-(ethylaminomethyl)-5-fluoro-N-methyl-N-[(6-methyl-2-pyridinyl)methyl]aniline is CCNCc1cc(F)cc(N(C)Cc2cccc(C)n2)c1.
What is the InChIKey of 3-(ethylaminomethyl)-5-fluoro-N-methyl-N-[(6-methyl-2-pyridinyl)methyl]aniline?
The InChIKey is JEKQYSKOXAJDFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22FN3/c1-4-19-11-14-8-15(18)10-17(9-14)21(3)12-16-7-5-6-13(2)20-16/h5-10,19H,4,11-12H2,1-3H3.
What are the key properties of 3-(ethylaminomethyl)-5-fluoro-N-methyl-N-[(6-methyl-2-pyridinyl)methyl]aniline?
3-(ethylaminomethyl)-5-fluoro-N-methyl-N-[(6-methyl-2-pyridinyl)methyl]aniline has a molecular weight of 287.38 g/mol, XLogP of 3.28, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethylaminomethyl)-5-fluoro-N-methyl-N-[(6-methyl-2-pyridinyl)methyl]aniline is sourced from PubChem (CID 106532950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).