3-chloro-N-ethyl-5-(ethylaminomethyl)-N-(2,2,2-trifluoroethyl)pyridin-2-amine

C12H17ClF3N3 — CID 62281431

IUPAC3-chloro-N-ethyl-5-(ethylaminomethyl)-N-(2,2,2-trifluoroethyl)pyridin-2-amine
SMILESCCNCc1cnc(N(CC)CC(F)(F)F)c(Cl)c1
InChIInChI=1S/C12H17ClF3N3/c1-3-17-6-9-5-10(13)11(18-7-9)19(4-2)8-12(14,15)16/h5,7,17H,3-4,6,8H2,1-2H3
InChIKeyOYVXXWRYSICSDX-UHFFFAOYSA-N
MW295.74 g/mol
LogP3.23
Rot. Bonds6

About 3-chloro-N-ethyl-5-(ethylaminomethyl)-N-(2,2,2-trifluoroethyl)pyridin-2-amine

3-chloro-N-ethyl-5-(ethylaminomethyl)-N-(2,2,2-trifluoroethyl)pyridin-2-amine (PubChem CID 62281431) has the molecular formula C12H17ClF3N3 and a molecular weight of 295.74 g/mol. Its IUPAC name is 3-chloro-N-ethyl-5-(ethylaminomethyl)-N-(2,2,2-trifluoroethyl)pyridin-2-amine.

Molecular Properties

Compound Name3-chloro-N-ethyl-5-(ethylaminomethyl)-N-(2,2,2-trifluoroethyl)pyridin-2-amine
PubChem CID62281431
Molecular FormulaC12H17ClF3N3
Molecular Weight295.74 g/mol
Exact Mass295.11
IUPAC Name3-chloro-N-ethyl-5-(ethylaminomethyl)-N-(2,2,2-trifluoroethyl)pyridin-2-amine
SMILESCCNCc1cnc(N(CC)CC(F)(F)F)c(Cl)c1
InChIInChI=1S/C12H17ClF3N3/c1-3-17-6-9-5-10(13)11(18-7-9)19(4-2)8-12(14,15)16/h5,7,17H,3-4,6,8H2,1-2H3
InChIKeyOYVXXWRYSICSDX-UHFFFAOYSA-N
XLogP3.23
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.74
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-N-ethyl-5-(ethylaminomethyl)-N-propylpyridin-2-amine
CID 55054577
3-chloro-N-ethyl-5-(ethylaminomethyl)-N-(2-methylpropyl)pyridin-2-amine
CID 62279192
3-chloro-5-(ethylaminomethyl)-N,N-dipropylpyridin-2-amine
CID 62284271
3-chloro-N-ethyl-5-(ethylaminomethyl)-N-(2-methoxyethyl)pyridin-2-amine
CID 62295498
5-[(tert-butylamino)methyl]-N-ethyl-3-methyl-N-(2,2,2-trifluoroethyl)pyridin-2-amine
CID 80637359
5-(aminomethyl)-3-chloro-N-propyl-N-(2,2,2-trifluoroethyl)pyridin-2-amine
CID 62286524
3-chloro-5-(ethylaminomethyl)-N-(2-methoxyethyl)-N-(3-methoxypropyl)pyridin-2-amine
CID 62295520
N'-[3-chloro-5-(ethylaminomethyl)-2-pyridinyl]-N,N,N'-trimethylpropane-1,3-diamine
CID 63701057
N-ethyl-4-(ethylaminomethyl)-N-(2,2,2-trifluoroethyl)aniline
CID 55009021
[5-chloro-6-[methyl(2,2,2-trifluoroethyl)amino]-3-pyridinyl]methanol
CID 61254991
3-chloro-N,N-bis(2-methylpropyl)-5-(propylaminomethyl)pyridin-2-amine
CID 63490143
3-chloro-N-ethyl-N-(2-ethylbutyl)-5-(methylaminomethyl)pyridin-2-amine
CID 62293550

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-ethyl-5-(ethylaminomethyl)-N-(2,2,2-trifluoroethyl)pyridin-2-amine?
The IUPAC name of 3-chloro-N-ethyl-5-(ethylaminomethyl)-N-(2,2,2-trifluoroethyl)pyridin-2-amine (CID 62281431) is 3-chloro-N-ethyl-5-(ethylaminomethyl)-N-(2,2,2-trifluoroethyl)pyridin-2-amine.
What is the SMILES notation for 3-chloro-N-ethyl-5-(ethylaminomethyl)-N-(2,2,2-trifluoroethyl)pyridin-2-amine?
The canonical SMILES for 3-chloro-N-ethyl-5-(ethylaminomethyl)-N-(2,2,2-trifluoroethyl)pyridin-2-amine is CCNCc1cnc(N(CC)CC(F)(F)F)c(Cl)c1.
What is the InChIKey of 3-chloro-N-ethyl-5-(ethylaminomethyl)-N-(2,2,2-trifluoroethyl)pyridin-2-amine?
The InChIKey is OYVXXWRYSICSDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClF3N3/c1-3-17-6-9-5-10(13)11(18-7-9)19(4-2)8-12(14,15)16/h5,7,17H,3-4,6,8H2,1-2H3.
What are the key properties of 3-chloro-N-ethyl-5-(ethylaminomethyl)-N-(2,2,2-trifluoroethyl)pyridin-2-amine?
3-chloro-N-ethyl-5-(ethylaminomethyl)-N-(2,2,2-trifluoroethyl)pyridin-2-amine has a molecular weight of 295.74 g/mol, XLogP of 3.23, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-ethyl-5-(ethylaminomethyl)-N-(2,2,2-trifluoroethyl)pyridin-2-amine is sourced from PubChem (CID 62281431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).