N-[1-(2-fluorophenyl)ethyl]-N-methyl-3-(methylaminomethyl)pyridin-2-amine

C16H20FN3 — CID 62984909

IUPACN-[1-(2-fluorophenyl)ethyl]-N-methyl-3-(methylaminomethyl)pyridin-2-amine
SMILESCNCc1cccnc1N(C)C(C)c1ccccc1F
InChIInChI=1S/C16H20FN3/c1-12(14-8-4-5-9-15(14)17)20(3)16-13(11-18-2)7-6-10-19-16/h4-10,12,18H,11H2,1-3H3
InChIKeyZVCREESKQXLOFT-UHFFFAOYSA-N
MW273.36 g/mol
LogP3.14
Rot. Bonds5

About N-[1-(2-fluorophenyl)ethyl]-N-methyl-3-(methylaminomethyl)pyridin-2-amine

N-[1-(2-fluorophenyl)ethyl]-N-methyl-3-(methylaminomethyl)pyridin-2-amine (PubChem CID 62984909) has the molecular formula C16H20FN3 and a molecular weight of 273.36 g/mol. Its IUPAC name is N-[1-(2-fluorophenyl)ethyl]-N-methyl-3-(methylaminomethyl)pyridin-2-amine.

Molecular Properties

Compound NameN-[1-(2-fluorophenyl)ethyl]-N-methyl-3-(methylaminomethyl)pyridin-2-amine
PubChem CID62984909
Molecular FormulaC16H20FN3
Molecular Weight273.36 g/mol
Exact Mass273.16
IUPAC NameN-[1-(2-fluorophenyl)ethyl]-N-methyl-3-(methylaminomethyl)pyridin-2-amine
SMILESCNCc1cccnc1N(C)C(C)c1ccccc1F
InChIInChI=1S/C16H20FN3/c1-12(14-8-4-5-9-15(14)17)20(3)16-13(11-18-2)7-6-10-19-16/h4-10,12,18H,11H2,1-3H3
InChIKeyZVCREESKQXLOFT-UHFFFAOYSA-N
XLogP3.14
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.36
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(2-chlorophenyl)ethyl]-N-methyl-3-(methylaminomethyl)pyridin-2-amine
CID 62985079
1-(2-fluorophenyl)-N-methyl-N-[[2-(methylaminomethyl)phenyl]methyl]ethanamine
CID 62985620
N-methyl-3-(methylaminomethyl)-N-(4-methylpentan-2-yl)pyridin-2-amine
CID 62287960
3-(aminomethyl)-N-[1-(2-chlorophenyl)ethyl]-N-methylpyridin-2-amine
CID 62980697
N-methyl-3-(methylaminomethyl)-N-(3-methylbutyl)pyridin-2-amine
CID 62294745
N-cyclohexyl-N-methyl-3-(methylaminomethyl)pyridin-2-amine
CID 62285463
N-methyl-3-(methylaminomethyl)-N-(2-methylbutyl)pyridin-2-amine
CID 62279569
N-methyl-3-(methylaminomethyl)-N-(2,2,2-trifluoroethyl)pyridin-2-amine
CID 62282278
3-(aminomethyl)-N-[1-(2-fluorophenyl)ethyl]-N,6-dimethylpyridin-2-amine
CID 62980701
3-chloro-N-[1-(2-chlorophenyl)ethyl]-N-methyl-5-(methylaminomethyl)pyridin-2-amine
CID 62985251
N-ethyl-N-(4-fluorophenyl)-3-(methylaminomethyl)pyridin-2-amine
CID 62283240
ethane;N-methyl-1-(2-propan-2-ylphenyl)methanamine
CID 177247543

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-fluorophenyl)ethyl]-N-methyl-3-(methylaminomethyl)pyridin-2-amine?
The IUPAC name of N-[1-(2-fluorophenyl)ethyl]-N-methyl-3-(methylaminomethyl)pyridin-2-amine (CID 62984909) is N-[1-(2-fluorophenyl)ethyl]-N-methyl-3-(methylaminomethyl)pyridin-2-amine.
What is the SMILES notation for N-[1-(2-fluorophenyl)ethyl]-N-methyl-3-(methylaminomethyl)pyridin-2-amine?
The canonical SMILES for N-[1-(2-fluorophenyl)ethyl]-N-methyl-3-(methylaminomethyl)pyridin-2-amine is CNCc1cccnc1N(C)C(C)c1ccccc1F.
What is the InChIKey of N-[1-(2-fluorophenyl)ethyl]-N-methyl-3-(methylaminomethyl)pyridin-2-amine?
The InChIKey is ZVCREESKQXLOFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FN3/c1-12(14-8-4-5-9-15(14)17)20(3)16-13(11-18-2)7-6-10-19-16/h4-10,12,18H,11H2,1-3H3.
What are the key properties of N-[1-(2-fluorophenyl)ethyl]-N-methyl-3-(methylaminomethyl)pyridin-2-amine?
N-[1-(2-fluorophenyl)ethyl]-N-methyl-3-(methylaminomethyl)pyridin-2-amine has a molecular weight of 273.36 g/mol, XLogP of 3.14, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-fluorophenyl)ethyl]-N-methyl-3-(methylaminomethyl)pyridin-2-amine is sourced from PubChem (CID 62984909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).