N-(3,3-dimethyl-1,2-dihydroinden-2-yl)-5-[2,2,2-trifluoro-1-(methylamino)ethyl]pyridin-2-amine

C19H22F3N3 — CID 170331025

IUPACN-(3,3-dimethyl-1,2-dihydroinden-2-yl)-5-[2,2,2-trifluoro-1-(methylamino)ethyl]pyridin-2-amine
SMILESCNC(c1ccc(NC2Cc3ccccc3C2(C)C)nc1)C(F)(F)F
InChIInChI=1S/C19H22F3N3/c1-18(2)14-7-5-4-6-12(14)10-15(18)25-16-9-8-13(11-24-16)17(23-3)19(20,21)22/h4-9,11,15,17,23H,10H2,1-3H3,(H,24,25)
InChIKeyAXZKWKQJGBKUSF-UHFFFAOYSA-N
MW349.40 g/mol
LogP4.22
Rot. Bonds4

About N-(3,3-dimethyl-1,2-dihydroinden-2-yl)-5-[2,2,2-trifluoro-1-(methylamino)ethyl]pyridin-2-amine

N-(3,3-dimethyl-1,2-dihydroinden-2-yl)-5-[2,2,2-trifluoro-1-(methylamino)ethyl]pyridin-2-amine (PubChem CID 170331025) has the molecular formula C19H22F3N3 and a molecular weight of 349.40 g/mol. Its IUPAC name is N-(3,3-dimethyl-1,2-dihydroinden-2-yl)-5-[2,2,2-trifluoro-1-(methylamino)ethyl]pyridin-2-amine.

Molecular Properties

Compound NameN-(3,3-dimethyl-1,2-dihydroinden-2-yl)-5-[2,2,2-trifluoro-1-(methylamino)ethyl]pyridin-2-amine
PubChem CID170331025
Molecular FormulaC19H22F3N3
Molecular Weight349.40 g/mol
Exact Mass349.18
IUPAC NameN-(3,3-dimethyl-1,2-dihydroinden-2-yl)-5-[2,2,2-trifluoro-1-(methylamino)ethyl]pyridin-2-amine
SMILESCNC(c1ccc(NC2Cc3ccccc3C2(C)C)nc1)C(F)(F)F
InChIInChI=1S/C19H22F3N3/c1-18(2)14-7-5-4-6-12(14)10-15(18)25-16-9-8-13(11-24-16)17(23-3)19(20,21)22/h4-9,11,15,17,23H,10H2,1-3H3,(H,24,25)
InChIKeyAXZKWKQJGBKUSF-UHFFFAOYSA-N
XLogP4.22
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.40
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3,3-dimethyl-1,2-dihydroinden-2-yl)-5-[2,2,2-trifluoro-1-(methylamino)ethyl]pyridin-2-amine?
The IUPAC name of N-(3,3-dimethyl-1,2-dihydroinden-2-yl)-5-[2,2,2-trifluoro-1-(methylamino)ethyl]pyridin-2-amine (CID 170331025) is N-(3,3-dimethyl-1,2-dihydroinden-2-yl)-5-[2,2,2-trifluoro-1-(methylamino)ethyl]pyridin-2-amine.
What is the SMILES notation for N-(3,3-dimethyl-1,2-dihydroinden-2-yl)-5-[2,2,2-trifluoro-1-(methylamino)ethyl]pyridin-2-amine?
The canonical SMILES for N-(3,3-dimethyl-1,2-dihydroinden-2-yl)-5-[2,2,2-trifluoro-1-(methylamino)ethyl]pyridin-2-amine is CNC(c1ccc(NC2Cc3ccccc3C2(C)C)nc1)C(F)(F)F.
What is the InChIKey of N-(3,3-dimethyl-1,2-dihydroinden-2-yl)-5-[2,2,2-trifluoro-1-(methylamino)ethyl]pyridin-2-amine?
The InChIKey is AXZKWKQJGBKUSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22F3N3/c1-18(2)14-7-5-4-6-12(14)10-15(18)25-16-9-8-13(11-24-16)17(23-3)19(20,21)22/h4-9,11,15,17,23H,10H2,1-3H3,(H,24,25).
What are the key properties of N-(3,3-dimethyl-1,2-dihydroinden-2-yl)-5-[2,2,2-trifluoro-1-(methylamino)ethyl]pyridin-2-amine?
N-(3,3-dimethyl-1,2-dihydroinden-2-yl)-5-[2,2,2-trifluoro-1-(methylamino)ethyl]pyridin-2-amine has a molecular weight of 349.40 g/mol, XLogP of 4.22, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-dimethyl-1,2-dihydroinden-2-yl)-5-[2,2,2-trifluoro-1-(methylamino)ethyl]pyridin-2-amine is sourced from PubChem (CID 170331025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).