(4S)-2,4-dimethyl-5-[[6-(2-methyl-4-pyridinyl)-4-(trifluoromethyl)-3-pyridinyl]oxy]pentan-2-amine

C19H24F3N3O — CID 118419976

IUPAC(4S)-2,4-dimethyl-5-[[6-(2-methyl-4-pyridinyl)-4-(trifluoromethyl)-3-pyridinyl]oxy]pentan-2-amine
SMILESCc1cc(-c2cc(C(F)(F)F)c(OC[C@@H](C)CC(C)(C)N)cn2)ccn1
InChIInChI=1S/C19H24F3N3O/c1-12(9-18(3,4)23)11-26-17-10-25-16(8-15(17)19(20,21)22)14-5-6-24-13(2)7-14/h5-8,10,12H,9,11,23H2,1-4H3/t12-/m0/s1
InChIKeyCQRVRXBLWWXUBU-LBPRGKRZSA-N
MW367.42 g/mol
LogP4.61
Rot. Bonds6

About (4S)-2,4-dimethyl-5-[[6-(2-methyl-4-pyridinyl)-4-(trifluoromethyl)-3-pyridinyl]oxy]pentan-2-amine

(4S)-2,4-dimethyl-5-[[6-(2-methyl-4-pyridinyl)-4-(trifluoromethyl)-3-pyridinyl]oxy]pentan-2-amine (PubChem CID 118419976) has the molecular formula C19H24F3N3O and a molecular weight of 367.42 g/mol. Its IUPAC name is (4S)-2,4-dimethyl-5-[[6-(2-methyl-4-pyridinyl)-4-(trifluoromethyl)-3-pyridinyl]oxy]pentan-2-amine.

Molecular Properties

Compound Name(4S)-2,4-dimethyl-5-[[6-(2-methyl-4-pyridinyl)-4-(trifluoromethyl)-3-pyridinyl]oxy]pentan-2-amine
PubChem CID118419976
Molecular FormulaC19H24F3N3O
Molecular Weight367.42 g/mol
Exact Mass367.19
IUPAC Name(4S)-2,4-dimethyl-5-[[6-(2-methyl-4-pyridinyl)-4-(trifluoromethyl)-3-pyridinyl]oxy]pentan-2-amine
SMILESCc1cc(-c2cc(C(F)(F)F)c(OC[C@@H](C)CC(C)(C)N)cn2)ccn1
InChIInChI=1S/C19H24F3N3O/c1-12(9-18(3,4)23)11-26-17-10-25-16(8-15(17)19(20,21)22)14-5-6-24-13(2)7-14/h5-8,10,12H,9,11,23H2,1-4H3/t12-/m0/s1
InChIKeyCQRVRXBLWWXUBU-LBPRGKRZSA-N
XLogP4.61
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.42
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (4S)-2,4-dimethyl-5-[[6-(2-methyl-4-pyridinyl)-4-(trifluoromethyl)-3-pyridinyl]oxy]pentan-2-amine with MolForge

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Launch Full Analysis

Related Compounds

[5-[[4-chloro-6-(2-methyl-4-pyridinyl)-3-pyridinyl]oxy]-2,4-dimethylpentan-2-yl]carbamic acid
CID 118420142
[4-[5-[(2S)-2-amino-2,4-dimethylpentoxy]-4-(trifluoromethyl)-2-pyridinyl]-2-pyridinyl]-methylcarbamic acid
CID 135325620
2-(2,4-dimethylpentoxy)-5-(2-methyl-4-pyridinyl)-3-(trifluoromethyl)pyridine
CID 144939879
5-[4-(7-fluoroquinolin-4-yl)-2-(trifluoromethyl)phenoxy]-2,4-dimethylpentan-2-amine
CID 118420541
(4S)-5-[4-(5-chloro-2-fluoro-4-pyridinyl)-2-(trifluoromethyl)phenoxy]-2,4-dimethylpentan-2-amine
CID 135282218
5-[2-chloro-4-[2-(trifluoromethyl)pyrimidin-4-yl]phenoxy]-2,4-dimethylpentan-2-amine
CID 135282767
5-[[6-[2-(difluoromethyl)-4-pyridinyl]-4-methyl-3-pyridinyl]oxy]-2,4-dimethylpentan-1-amine
CID 135282182
6-[4-(4-amino-2,4-dimethylpentoxy)-3-(trifluoromethyl)phenyl]-N-(oxolan-3-yl)pyrimidin-4-amine
CID 146255310
(4S)-5-[[5-[2-(difluoromethyl)-4-pyridinyl]-3-methyl-2-pyridinyl]oxy]-2,4-dimethylpentan-2-amine
CID 135282104
5-[4-(2,6-dimethylpyrimidin-4-yl)-2-(trifluoromethyl)phenoxy]-4-methylpentan-2-amine
CID 146208216
5-[(6-chloro-4-methyl-3-pyridinyl)oxy]-2,4-dimethylpentan-2-amine
CID 118419790
tert-butyl carbamate;2-[2-(difluoromethyl)-4-pyridinyl]-5-(2,4-dimethylpentoxy)-4-methylpyridine
CID 144940027

Frequently Asked Questions

What is the IUPAC name of (4S)-2,4-dimethyl-5-[[6-(2-methyl-4-pyridinyl)-4-(trifluoromethyl)-3-pyridinyl]oxy]pentan-2-amine?
The IUPAC name of (4S)-2,4-dimethyl-5-[[6-(2-methyl-4-pyridinyl)-4-(trifluoromethyl)-3-pyridinyl]oxy]pentan-2-amine (CID 118419976) is (4S)-2,4-dimethyl-5-[[6-(2-methyl-4-pyridinyl)-4-(trifluoromethyl)-3-pyridinyl]oxy]pentan-2-amine.
What is the SMILES notation for (4S)-2,4-dimethyl-5-[[6-(2-methyl-4-pyridinyl)-4-(trifluoromethyl)-3-pyridinyl]oxy]pentan-2-amine?
The canonical SMILES for (4S)-2,4-dimethyl-5-[[6-(2-methyl-4-pyridinyl)-4-(trifluoromethyl)-3-pyridinyl]oxy]pentan-2-amine is Cc1cc(-c2cc(C(F)(F)F)c(OC[C@@H](C)CC(C)(C)N)cn2)ccn1.
What is the InChIKey of (4S)-2,4-dimethyl-5-[[6-(2-methyl-4-pyridinyl)-4-(trifluoromethyl)-3-pyridinyl]oxy]pentan-2-amine?
The InChIKey is CQRVRXBLWWXUBU-LBPRGKRZSA-N. The full InChI is InChI=1S/C19H24F3N3O/c1-12(9-18(3,4)23)11-26-17-10-25-16(8-15(17)19(20,21)22)14-5-6-24-13(2)7-14/h5-8,10,12H,9,11,23H2,1-4H3/t12-/m0/s1.
What are the key properties of (4S)-2,4-dimethyl-5-[[6-(2-methyl-4-pyridinyl)-4-(trifluoromethyl)-3-pyridinyl]oxy]pentan-2-amine?
(4S)-2,4-dimethyl-5-[[6-(2-methyl-4-pyridinyl)-4-(trifluoromethyl)-3-pyridinyl]oxy]pentan-2-amine has a molecular weight of 367.42 g/mol, XLogP of 4.61, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-2,4-dimethyl-5-[[6-(2-methyl-4-pyridinyl)-4-(trifluoromethyl)-3-pyridinyl]oxy]pentan-2-amine is sourced from PubChem (CID 118419976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).