3-(aminomethyl)-N-[1-(2-fluorophenyl)ethyl]-N,6-dimethylpyridin-2-amine

C16H20FN3 — CID 62980701

IUPAC3-(aminomethyl)-N-[1-(2-fluorophenyl)ethyl]-N,6-dimethylpyridin-2-amine
SMILESCc1ccc(CN)c(N(C)C(C)c2ccccc2F)n1
InChIInChI=1S/C16H20FN3/c1-11-8-9-13(10-18)16(19-11)20(3)12(2)14-6-4-5-7-15(14)17/h4-9,12H,10,18H2,1-3H3
InChIKeyDGQSQVRZUYNFSJ-UHFFFAOYSA-N
MW273.36 g/mol
LogP3.19
Rot. Bonds4

About 3-(aminomethyl)-N-[1-(2-fluorophenyl)ethyl]-N,6-dimethylpyridin-2-amine

3-(aminomethyl)-N-[1-(2-fluorophenyl)ethyl]-N,6-dimethylpyridin-2-amine (PubChem CID 62980701) has the molecular formula C16H20FN3 and a molecular weight of 273.36 g/mol. Its IUPAC name is 3-(aminomethyl)-N-[1-(2-fluorophenyl)ethyl]-N,6-dimethylpyridin-2-amine.

Molecular Properties

Compound Name3-(aminomethyl)-N-[1-(2-fluorophenyl)ethyl]-N,6-dimethylpyridin-2-amine
PubChem CID62980701
Molecular FormulaC16H20FN3
Molecular Weight273.36 g/mol
Exact Mass273.16
IUPAC Name3-(aminomethyl)-N-[1-(2-fluorophenyl)ethyl]-N,6-dimethylpyridin-2-amine
SMILESCc1ccc(CN)c(N(C)C(C)c2ccccc2F)n1
InChIInChI=1S/C16H20FN3/c1-11-8-9-13(10-18)16(19-11)20(3)12(2)14-6-4-5-7-15(14)17/h4-9,12H,10,18H2,1-3H3
InChIKeyDGQSQVRZUYNFSJ-UHFFFAOYSA-N
XLogP3.19
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.36
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(aminomethyl)-N-[1-(2-fluorophenyl)ethyl]-N,5-dimethylaniline
CID 62980338
4-(aminomethyl)-3-bromo-2-fluoro-N-[1-(2-fluorophenyl)ethyl]-N-methylaniline
CID 107532357
[2-[1-(2-fluorophenyl)ethyl-methylamino]-4,6-dimethyl-3-pyridinyl]methanol
CID 62984852
6-chloro-N-[1-(2-fluorophenyl)ethyl]-N,2,5-trimethylpyrimidin-4-amine
CID 63729056
5-(2-aminoethyl)-N-[1-(2-fluorophenyl)ethyl]-N,3-dimethylpyridin-2-amine
CID 80636823
5-(aminomethyl)-4-ethyl-N-[1-(2-fluorophenyl)ethyl]-N-methyl-1,3-thiazol-2-amine
CID 62985824
3-(aminomethyl)-N,6-dimethyl-N-(1-methylsulfanylbutan-2-yl)pyridin-2-amine
CID 112657243
4-(aminomethyl)-2-fluoro-N-[1-(2-fluorophenyl)ethyl]-N-methylaniline
CID 62980166
6-fluoro-N-[1-(2-fluorophenyl)ethyl]-N-methylpyridin-2-amine
CID 55140098
N-[1-(2-fluorophenyl)ethyl]-N-methyl-3-(methylaminomethyl)pyridin-2-amine
CID 62984909
3-(aminomethyl)-N-[1-(2-chlorophenyl)ethyl]-N-methylpyridin-2-amine
CID 62980697
[2-[1-(2-fluorophenyl)ethyl-methylamino]-4-methylpyrimidin-5-yl]methanol
CID 83184020

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-N-[1-(2-fluorophenyl)ethyl]-N,6-dimethylpyridin-2-amine?
The IUPAC name of 3-(aminomethyl)-N-[1-(2-fluorophenyl)ethyl]-N,6-dimethylpyridin-2-amine (CID 62980701) is 3-(aminomethyl)-N-[1-(2-fluorophenyl)ethyl]-N,6-dimethylpyridin-2-amine.
What is the SMILES notation for 3-(aminomethyl)-N-[1-(2-fluorophenyl)ethyl]-N,6-dimethylpyridin-2-amine?
The canonical SMILES for 3-(aminomethyl)-N-[1-(2-fluorophenyl)ethyl]-N,6-dimethylpyridin-2-amine is Cc1ccc(CN)c(N(C)C(C)c2ccccc2F)n1.
What is the InChIKey of 3-(aminomethyl)-N-[1-(2-fluorophenyl)ethyl]-N,6-dimethylpyridin-2-amine?
The InChIKey is DGQSQVRZUYNFSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FN3/c1-11-8-9-13(10-18)16(19-11)20(3)12(2)14-6-4-5-7-15(14)17/h4-9,12H,10,18H2,1-3H3.
What are the key properties of 3-(aminomethyl)-N-[1-(2-fluorophenyl)ethyl]-N,6-dimethylpyridin-2-amine?
3-(aminomethyl)-N-[1-(2-fluorophenyl)ethyl]-N,6-dimethylpyridin-2-amine has a molecular weight of 273.36 g/mol, XLogP of 3.19, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-N-[1-(2-fluorophenyl)ethyl]-N,6-dimethylpyridin-2-amine is sourced from PubChem (CID 62980701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).