N-[[6-[[(4-fluorophenyl)methyl-methylamino]methyl]-2-pyridinyl]methyl]ethanamine

C17H22FN3 — CID 106905328

IUPACN-[[6-[[(4-fluorophenyl)methyl-methylamino]methyl]-2-pyridinyl]methyl]ethanamine
SMILESCCNCc1cccc(CN(C)Cc2ccc(F)cc2)n1
InChIInChI=1S/C17H22FN3/c1-3-19-11-16-5-4-6-17(20-16)13-21(2)12-14-7-9-15(18)10-8-14/h4-10,19H,3,11-13H2,1-2H3
InChIKeyITOWFIYEJLQEOC-UHFFFAOYSA-N
MW287.38 g/mol
LogP2.96
Rot. Bonds7

About N-[[6-[[(4-fluorophenyl)methyl-methylamino]methyl]-2-pyridinyl]methyl]ethanamine

N-[[6-[[(4-fluorophenyl)methyl-methylamino]methyl]-2-pyridinyl]methyl]ethanamine (PubChem CID 106905328) has the molecular formula C17H22FN3 and a molecular weight of 287.38 g/mol. Its IUPAC name is N-[[6-[[(4-fluorophenyl)methyl-methylamino]methyl]-2-pyridinyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[6-[[(4-fluorophenyl)methyl-methylamino]methyl]-2-pyridinyl]methyl]ethanamine
PubChem CID106905328
Molecular FormulaC17H22FN3
Molecular Weight287.38 g/mol
Exact Mass287.18
IUPAC NameN-[[6-[[(4-fluorophenyl)methyl-methylamino]methyl]-2-pyridinyl]methyl]ethanamine
SMILESCCNCc1cccc(CN(C)Cc2ccc(F)cc2)n1
InChIInChI=1S/C17H22FN3/c1-3-19-11-16-5-4-6-17(20-16)13-21(2)12-14-7-9-15(18)10-8-14/h4-10,19H,3,11-13H2,1-2H3
InChIKeyITOWFIYEJLQEOC-UHFFFAOYSA-N
XLogP2.96
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 ≤ 52.96
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
[6-[[(4-fluorophenyl)methyl-methylamino]methyl]-2-pyridinyl]methanamine
CID 106905327
N-[[6-(ethylaminomethyl)-2-pyridinyl]methyl]ethanamine
CID 11566567
1-(4-fluorophenyl)-N-[(6-hydrazinyl-2-pyridinyl)methyl]-N-methylmethanamine
CID 79243570
N-[[6-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]-2-pyridinyl]methyl]ethanamine
CID 106906102
6-[[(4-fluorophenyl)methyl-methylamino]methyl]pyridine-2-carboxylic acid
CID 106904017
N-ethyl-N-[[6-(ethylaminomethyl)-2-pyridinyl]methyl]-2-fluoroaniline
CID 106906142
N-[[6-(ethylaminomethyl)-2-pyridinyl]methyl]-N-methylpentan-3-amine
CID 106905876
N-[[6-(ethylaminomethyl)-2-pyridinyl]methyl]-N,3-dimethylbutan-2-amine
CID 106905884
N-methyl-N-[[6-[[methyl(pyridin-4-ylmethyl)amino]methyl]-2-pyridinyl]methyl]-1-pyridin-4-ylmethanamine
CID 137379420
N-[(4-chlorophenyl)methyl]-6-(ethylaminomethyl)-N-methylpyridin-2-amine
CID 62289425
N-[[6-(ethylaminomethyl)-2-pyridinyl]methyl]-N-methylcyclohexanamine
CID 106905571

Frequently Asked Questions

What is the IUPAC name of N-[[6-[[(4-fluorophenyl)methyl-methylamino]methyl]-2-pyridinyl]methyl]ethanamine?
The IUPAC name of N-[[6-[[(4-fluorophenyl)methyl-methylamino]methyl]-2-pyridinyl]methyl]ethanamine (CID 106905328) is N-[[6-[[(4-fluorophenyl)methyl-methylamino]methyl]-2-pyridinyl]methyl]ethanamine.
What is the SMILES notation for N-[[6-[[(4-fluorophenyl)methyl-methylamino]methyl]-2-pyridinyl]methyl]ethanamine?
The canonical SMILES for N-[[6-[[(4-fluorophenyl)methyl-methylamino]methyl]-2-pyridinyl]methyl]ethanamine is CCNCc1cccc(CN(C)Cc2ccc(F)cc2)n1.
What is the InChIKey of N-[[6-[[(4-fluorophenyl)methyl-methylamino]methyl]-2-pyridinyl]methyl]ethanamine?
The InChIKey is ITOWFIYEJLQEOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22FN3/c1-3-19-11-16-5-4-6-17(20-16)13-21(2)12-14-7-9-15(18)10-8-14/h4-10,19H,3,11-13H2,1-2H3.
What are the key properties of N-[[6-[[(4-fluorophenyl)methyl-methylamino]methyl]-2-pyridinyl]methyl]ethanamine?
N-[[6-[[(4-fluorophenyl)methyl-methylamino]methyl]-2-pyridinyl]methyl]ethanamine has a molecular weight of 287.38 g/mol, XLogP of 2.96, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-[[(4-fluorophenyl)methyl-methylamino]methyl]-2-pyridinyl]methyl]ethanamine is sourced from PubChem (CID 106905328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).