3-(ethylaminomethyl)-N-[(4-fluorophenyl)methyl]-N-methylpyridin-4-amine

C16H20FN3 — CID 81246247

IUPAC3-(ethylaminomethyl)-N-[(4-fluorophenyl)methyl]-N-methylpyridin-4-amine
SMILESCCNCc1cnccc1N(C)Cc1ccc(F)cc1
InChIInChI=1S/C16H20FN3/c1-3-18-10-14-11-19-9-8-16(14)20(2)12-13-4-6-15(17)7-5-13/h4-9,11,18H,3,10,12H2,1-2H3
InChIKeyPADWWNGAJAEBRK-UHFFFAOYSA-N
MW273.36 g/mol
LogP2.97
Rot. Bonds6

About 3-(ethylaminomethyl)-N-[(4-fluorophenyl)methyl]-N-methylpyridin-4-amine

3-(ethylaminomethyl)-N-[(4-fluorophenyl)methyl]-N-methylpyridin-4-amine (PubChem CID 81246247) has the molecular formula C16H20FN3 and a molecular weight of 273.36 g/mol. Its IUPAC name is 3-(ethylaminomethyl)-N-[(4-fluorophenyl)methyl]-N-methylpyridin-4-amine.

Molecular Properties

Compound Name3-(ethylaminomethyl)-N-[(4-fluorophenyl)methyl]-N-methylpyridin-4-amine
PubChem CID81246247
Molecular FormulaC16H20FN3
Molecular Weight273.36 g/mol
Exact Mass273.16
IUPAC Name3-(ethylaminomethyl)-N-[(4-fluorophenyl)methyl]-N-methylpyridin-4-amine
SMILESCCNCc1cnccc1N(C)Cc1ccc(F)cc1
InChIInChI=1S/C16H20FN3/c1-3-18-10-14-11-19-9-8-16(14)20(2)12-13-4-6-15(17)7-5-13/h4-9,11,18H,3,10,12H2,1-2H3
InChIKeyPADWWNGAJAEBRK-UHFFFAOYSA-N
XLogP2.97
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.36
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(ethylaminomethyl)-N-[(4-methoxyphenyl)methyl]-N-methylpyridin-4-amine
CID 81249417
3-(aminomethyl)-N-[(4-fluorophenyl)methyl]-N-methylpyridin-4-amine
CID 81246480
3-(ethylaminomethyl)-N-methyl-N-[(2-methylphenyl)methyl]pyridin-4-amine
CID 81246615
3-(ethylaminomethyl)-N-methyl-N-(2-phenylethyl)pyridin-4-amine
CID 81248283
N-benzyl-2-(ethylaminomethyl)-4-fluoro-N-methylaniline
CID 43313735
N-(cyclohexylmethyl)-3-(ethylaminomethyl)-N-methylpyridin-4-amine
CID 81248305
N-methyl-N-[(3-methylphenyl)methyl]-3-(propylaminomethyl)pyridin-4-amine
CID 81253106
5-(ethylaminomethyl)-N-[(4-fluorophenyl)methyl]-N-methyl-1,3-thiazol-2-amine
CID 62753127
5-chloro-2-(ethylaminomethyl)-N-methyl-N-(pyridin-4-ylmethyl)aniline
CID 114848350
2-N-ethyl-2-N-[3-(ethylaminomethyl)-4-pyridinyl]-1-N,1-N-dimethylpropane-1,2-diamine
CID 103191478
N-[[4-[[methyl(pyridin-4-ylmethyl)amino]methyl]phenyl]methyl]ethanamine
CID 62434387
N-methyl-3-[(2-methylpropylamino)methyl]-N-(thiophen-3-ylmethyl)pyridin-4-amine
CID 81247060

Frequently Asked Questions

What is the IUPAC name of 3-(ethylaminomethyl)-N-[(4-fluorophenyl)methyl]-N-methylpyridin-4-amine?
The IUPAC name of 3-(ethylaminomethyl)-N-[(4-fluorophenyl)methyl]-N-methylpyridin-4-amine (CID 81246247) is 3-(ethylaminomethyl)-N-[(4-fluorophenyl)methyl]-N-methylpyridin-4-amine.
What is the SMILES notation for 3-(ethylaminomethyl)-N-[(4-fluorophenyl)methyl]-N-methylpyridin-4-amine?
The canonical SMILES for 3-(ethylaminomethyl)-N-[(4-fluorophenyl)methyl]-N-methylpyridin-4-amine is CCNCc1cnccc1N(C)Cc1ccc(F)cc1.
What is the InChIKey of 3-(ethylaminomethyl)-N-[(4-fluorophenyl)methyl]-N-methylpyridin-4-amine?
The InChIKey is PADWWNGAJAEBRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FN3/c1-3-18-10-14-11-19-9-8-16(14)20(2)12-13-4-6-15(17)7-5-13/h4-9,11,18H,3,10,12H2,1-2H3.
What are the key properties of 3-(ethylaminomethyl)-N-[(4-fluorophenyl)methyl]-N-methylpyridin-4-amine?
3-(ethylaminomethyl)-N-[(4-fluorophenyl)methyl]-N-methylpyridin-4-amine has a molecular weight of 273.36 g/mol, XLogP of 2.97, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethylaminomethyl)-N-[(4-fluorophenyl)methyl]-N-methylpyridin-4-amine is sourced from PubChem (CID 81246247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).