2,4-dimethyl-1-[[4-methyl-6-[2-(trifluoromethyl)-4-pyridinyl]-3-pyridinyl]oxy]pentan-1-amine

C19H24F3N3O — CID 135282204

IUPAC2,4-dimethyl-1-[[4-methyl-6-[2-(trifluoromethyl)-4-pyridinyl]-3-pyridinyl]oxy]pentan-1-amine
SMILESCc1cc(-c2ccnc(C(F)(F)F)c2)ncc1OC(N)C(C)CC(C)C
InChIInChI=1S/C19H24F3N3O/c1-11(2)7-13(4)18(23)26-16-10-25-15(8-12(16)3)14-5-6-24-17(9-14)19(20,21)22/h5-6,8-11,13,18H,7,23H2,1-4H3
InChIKeyHBIWYVMTRCMGFR-UHFFFAOYSA-N
MW367.42 g/mol
LogP4.82
Rot. Bonds6

About 2,4-dimethyl-1-[[4-methyl-6-[2-(trifluoromethyl)-4-pyridinyl]-3-pyridinyl]oxy]pentan-1-amine

2,4-dimethyl-1-[[4-methyl-6-[2-(trifluoromethyl)-4-pyridinyl]-3-pyridinyl]oxy]pentan-1-amine (PubChem CID 135282204) has the molecular formula C19H24F3N3O and a molecular weight of 367.42 g/mol. Its IUPAC name is 2,4-dimethyl-1-[[4-methyl-6-[2-(trifluoromethyl)-4-pyridinyl]-3-pyridinyl]oxy]pentan-1-amine.

Molecular Properties

Compound Name2,4-dimethyl-1-[[4-methyl-6-[2-(trifluoromethyl)-4-pyridinyl]-3-pyridinyl]oxy]pentan-1-amine
PubChem CID135282204
Molecular FormulaC19H24F3N3O
Molecular Weight367.42 g/mol
Exact Mass367.19
IUPAC Name2,4-dimethyl-1-[[4-methyl-6-[2-(trifluoromethyl)-4-pyridinyl]-3-pyridinyl]oxy]pentan-1-amine
SMILESCc1cc(-c2ccnc(C(F)(F)F)c2)ncc1OC(N)C(C)CC(C)C
InChIInChI=1S/C19H24F3N3O/c1-11(2)7-13(4)18(23)26-16-10-25-15(8-12(16)3)14-5-6-24-17(9-14)19(20,21)22/h5-6,8-11,13,18H,7,23H2,1-4H3
InChIKeyHBIWYVMTRCMGFR-UHFFFAOYSA-N
XLogP4.82
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 ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

tert-butyl carbamate;2-[2-(difluoromethyl)-4-pyridinyl]-5-(2,4-dimethylpentoxy)-4-methylpyridine
CID 144940027
(1S)-1-[4-bromo-2-(trifluoromethyl)phenoxy]-2,4-dimethylpentan-1-amine
CID 150554354
methanamine;3-[2-(trifluoromethyl)-4-pyridinyl]-6,7-dihydro-5H-cyclopenta[c]pyridine
CID 177051680
5-[[6-[2-(difluoromethyl)-4-pyridinyl]-4-methyl-3-pyridinyl]oxy]-2,4-dimethylpentan-1-amine
CID 135282182
(4S)-2,4-dimethyl-5-[[6-(2-methyl-4-pyridinyl)-4-(trifluoromethyl)-3-pyridinyl]oxy]pentan-2-amine
CID 118419976
[1-[[6-[2-(difluoromethyl)-4-pyridinyl]-4-methyl-3-pyridinyl]oxy]-2,4-dimethylpentan-2-yl]carbamic acid
CID 118419779
(1R)-1-[2-(trifluoromethyl)-4-pyridinyl]ethanamine
CID 97053211
4-[5-(2-amino-2,4-dimethylpentoxy)-4-methyl-2-pyridinyl]-3-fluoropyridin-2-amine
CID 137495410
(2S)-2,4-dimethyl-1-[2-methyl-4-[2-(trifluoromethyl)pyrimidin-4-yl]phenoxy]pentan-2-amine
CID 135390625
[4-[5-[(2S)-2-amino-2,4-dimethylpentoxy]-4-(trifluoromethyl)-2-pyridinyl]-2-pyridinyl]-methylcarbamic acid
CID 135325620
2-ethenyl-4-methyl-5-[2-(trifluoromethyl)-4-pyridinyl]pyridine
CID 145352422
(1S)-1-[3-[2-(trifluoromethyl)-4-pyridinyl]-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 155272203

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-1-[[4-methyl-6-[2-(trifluoromethyl)-4-pyridinyl]-3-pyridinyl]oxy]pentan-1-amine?
The IUPAC name of 2,4-dimethyl-1-[[4-methyl-6-[2-(trifluoromethyl)-4-pyridinyl]-3-pyridinyl]oxy]pentan-1-amine (CID 135282204) is 2,4-dimethyl-1-[[4-methyl-6-[2-(trifluoromethyl)-4-pyridinyl]-3-pyridinyl]oxy]pentan-1-amine.
What is the SMILES notation for 2,4-dimethyl-1-[[4-methyl-6-[2-(trifluoromethyl)-4-pyridinyl]-3-pyridinyl]oxy]pentan-1-amine?
The canonical SMILES for 2,4-dimethyl-1-[[4-methyl-6-[2-(trifluoromethyl)-4-pyridinyl]-3-pyridinyl]oxy]pentan-1-amine is Cc1cc(-c2ccnc(C(F)(F)F)c2)ncc1OC(N)C(C)CC(C)C.
What is the InChIKey of 2,4-dimethyl-1-[[4-methyl-6-[2-(trifluoromethyl)-4-pyridinyl]-3-pyridinyl]oxy]pentan-1-amine?
The InChIKey is HBIWYVMTRCMGFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24F3N3O/c1-11(2)7-13(4)18(23)26-16-10-25-15(8-12(16)3)14-5-6-24-17(9-14)19(20,21)22/h5-6,8-11,13,18H,7,23H2,1-4H3.
What are the key properties of 2,4-dimethyl-1-[[4-methyl-6-[2-(trifluoromethyl)-4-pyridinyl]-3-pyridinyl]oxy]pentan-1-amine?
2,4-dimethyl-1-[[4-methyl-6-[2-(trifluoromethyl)-4-pyridinyl]-3-pyridinyl]oxy]pentan-1-amine has a molecular weight of 367.42 g/mol, XLogP of 4.82, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-1-[[4-methyl-6-[2-(trifluoromethyl)-4-pyridinyl]-3-pyridinyl]oxy]pentan-1-amine is sourced from PubChem (CID 135282204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).