(2S)-2,4-dimethyl-1-[4-pyridin-4-yl-2-(trifluoromethyl)phenoxy]pentan-2-amine

C19H23F3N2O — CID 118420203

IUPAC(2S)-2,4-dimethyl-1-[4-pyridin-4-yl-2-(trifluoromethyl)phenoxy]pentan-2-amine
SMILESCC(C)C[C@](C)(N)COc1ccc(-c2ccncc2)cc1C(F)(F)F
InChIInChI=1S/C19H23F3N2O/c1-13(2)11-18(3,23)12-25-17-5-4-15(10-16(17)19(20,21)22)14-6-8-24-9-7-14/h4-10,13H,11-12,23H2,1-3H3/t18-/m0/s1
InChIKeyUJFBQMHGCCSHRP-SFHVURJKSA-N
MW352.40 g/mol
LogP4.91
Rot. Bonds6

About (2S)-2,4-dimethyl-1-[4-pyridin-4-yl-2-(trifluoromethyl)phenoxy]pentan-2-amine

(2S)-2,4-dimethyl-1-[4-pyridin-4-yl-2-(trifluoromethyl)phenoxy]pentan-2-amine (PubChem CID 118420203) has the molecular formula C19H23F3N2O and a molecular weight of 352.40 g/mol. Its IUPAC name is (2S)-2,4-dimethyl-1-[4-pyridin-4-yl-2-(trifluoromethyl)phenoxy]pentan-2-amine.

Molecular Properties

Compound Name(2S)-2,4-dimethyl-1-[4-pyridin-4-yl-2-(trifluoromethyl)phenoxy]pentan-2-amine
PubChem CID118420203
Molecular FormulaC19H23F3N2O
Molecular Weight352.40 g/mol
Exact Mass352.18
IUPAC Name(2S)-2,4-dimethyl-1-[4-pyridin-4-yl-2-(trifluoromethyl)phenoxy]pentan-2-amine
SMILESCC(C)C[C@](C)(N)COc1ccc(-c2ccncc2)cc1C(F)(F)F
InChIInChI=1S/C19H23F3N2O/c1-13(2)11-18(3,23)12-25-17-5-4-15(10-16(17)19(20,21)22)14-6-8-24-9-7-14/h4-10,13H,11-12,23H2,1-3H3/t18-/m0/s1
InChIKeyUJFBQMHGCCSHRP-SFHVURJKSA-N
XLogP4.91
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.40
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-2,4-dimethyl-1-[4-pyridin-4-yl-2-(trifluoromethyl)phenoxy]pentan-2-amine?
The IUPAC name of (2S)-2,4-dimethyl-1-[4-pyridin-4-yl-2-(trifluoromethyl)phenoxy]pentan-2-amine (CID 118420203) is (2S)-2,4-dimethyl-1-[4-pyridin-4-yl-2-(trifluoromethyl)phenoxy]pentan-2-amine.
What is the SMILES notation for (2S)-2,4-dimethyl-1-[4-pyridin-4-yl-2-(trifluoromethyl)phenoxy]pentan-2-amine?
The canonical SMILES for (2S)-2,4-dimethyl-1-[4-pyridin-4-yl-2-(trifluoromethyl)phenoxy]pentan-2-amine is CC(C)C[C@](C)(N)COc1ccc(-c2ccncc2)cc1C(F)(F)F.
What is the InChIKey of (2S)-2,4-dimethyl-1-[4-pyridin-4-yl-2-(trifluoromethyl)phenoxy]pentan-2-amine?
The InChIKey is UJFBQMHGCCSHRP-SFHVURJKSA-N. The full InChI is InChI=1S/C19H23F3N2O/c1-13(2)11-18(3,23)12-25-17-5-4-15(10-16(17)19(20,21)22)14-6-8-24-9-7-14/h4-10,13H,11-12,23H2,1-3H3/t18-/m0/s1.
What are the key properties of (2S)-2,4-dimethyl-1-[4-pyridin-4-yl-2-(trifluoromethyl)phenoxy]pentan-2-amine?
(2S)-2,4-dimethyl-1-[4-pyridin-4-yl-2-(trifluoromethyl)phenoxy]pentan-2-amine has a molecular weight of 352.40 g/mol, XLogP of 4.91, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2,4-dimethyl-1-[4-pyridin-4-yl-2-(trifluoromethyl)phenoxy]pentan-2-amine is sourced from PubChem (CID 118420203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).