N,5-di(propan-2-yl)-N-[4-(trifluoromethyl)phenyl]pyridin-2-amine

C18H21F3N2 — CID 71054004

IUPACN,5-di(propan-2-yl)-N-[4-(trifluoromethyl)phenyl]pyridin-2-amine
SMILESCC(C)c1ccc(N(c2ccc(C(F)(F)F)cc2)C(C)C)nc1
InChIInChI=1S/C18H21F3N2/c1-12(2)14-5-10-17(22-11-14)23(13(3)4)16-8-6-15(7-9-16)18(19,20)21/h5-13H,1-4H3
InChIKeyOKHURHMCWSKQON-UHFFFAOYSA-N
MW322.37 g/mol
LogP5.77
Rot. Bonds4

About N,5-di(propan-2-yl)-N-[4-(trifluoromethyl)phenyl]pyridin-2-amine

N,5-di(propan-2-yl)-N-[4-(trifluoromethyl)phenyl]pyridin-2-amine (PubChem CID 71054004) has the molecular formula C18H21F3N2 and a molecular weight of 322.37 g/mol. Its IUPAC name is N,5-di(propan-2-yl)-N-[4-(trifluoromethyl)phenyl]pyridin-2-amine.

Molecular Properties

Compound NameN,5-di(propan-2-yl)-N-[4-(trifluoromethyl)phenyl]pyridin-2-amine
PubChem CID71054004
Molecular FormulaC18H21F3N2
Molecular Weight322.37 g/mol
Exact Mass322.17
IUPAC NameN,5-di(propan-2-yl)-N-[4-(trifluoromethyl)phenyl]pyridin-2-amine
SMILESCC(C)c1ccc(N(c2ccc(C(F)(F)F)cc2)C(C)C)nc1
InChIInChI=1S/C18H21F3N2/c1-12(2)14-5-10-17(22-11-14)23(13(3)4)16-8-6-15(7-9-16)18(19,20)21/h5-13H,1-4H3
InChIKeyOKHURHMCWSKQON-UHFFFAOYSA-N
XLogP5.77
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.37
LogP ≤ 55.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,5-di(propan-2-yl)-N-[4-(trifluoromethyl)phenyl]pyridin-2-amine?
The IUPAC name of N,5-di(propan-2-yl)-N-[4-(trifluoromethyl)phenyl]pyridin-2-amine (CID 71054004) is N,5-di(propan-2-yl)-N-[4-(trifluoromethyl)phenyl]pyridin-2-amine.
What is the SMILES notation for N,5-di(propan-2-yl)-N-[4-(trifluoromethyl)phenyl]pyridin-2-amine?
The canonical SMILES for N,5-di(propan-2-yl)-N-[4-(trifluoromethyl)phenyl]pyridin-2-amine is CC(C)c1ccc(N(c2ccc(C(F)(F)F)cc2)C(C)C)nc1.
What is the InChIKey of N,5-di(propan-2-yl)-N-[4-(trifluoromethyl)phenyl]pyridin-2-amine?
The InChIKey is OKHURHMCWSKQON-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21F3N2/c1-12(2)14-5-10-17(22-11-14)23(13(3)4)16-8-6-15(7-9-16)18(19,20)21/h5-13H,1-4H3.
What are the key properties of N,5-di(propan-2-yl)-N-[4-(trifluoromethyl)phenyl]pyridin-2-amine?
N,5-di(propan-2-yl)-N-[4-(trifluoromethyl)phenyl]pyridin-2-amine has a molecular weight of 322.37 g/mol, XLogP of 5.77, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,5-di(propan-2-yl)-N-[4-(trifluoromethyl)phenyl]pyridin-2-amine is sourced from PubChem (CID 71054004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).