1-[[3-chloro-5-(2-methyl-4-pyridinyl)-2-pyridinyl]oxy]-2,4-dimethylpentan-2-amine

C18H24ClN3O — CID 134285449

IUPAC1-[[3-chloro-5-(2-methyl-4-pyridinyl)-2-pyridinyl]oxy]-2,4-dimethylpentan-2-amine
SMILESCc1cc(-c2cnc(OCC(C)(N)CC(C)C)c(Cl)c2)ccn1
InChIInChI=1S/C18H24ClN3O/c1-12(2)9-18(4,20)11-23-17-16(19)8-15(10-22-17)14-5-6-21-13(3)7-14/h5-8,10,12H,9,11,20H2,1-4H3
InChIKeyFXRWQJAEZHTNFX-UHFFFAOYSA-N
MW333.86 g/mol
LogP4.25
Rot. Bonds6

About 1-[[3-chloro-5-(2-methyl-4-pyridinyl)-2-pyridinyl]oxy]-2,4-dimethylpentan-2-amine

1-[[3-chloro-5-(2-methyl-4-pyridinyl)-2-pyridinyl]oxy]-2,4-dimethylpentan-2-amine (PubChem CID 134285449) has the molecular formula C18H24ClN3O and a molecular weight of 333.86 g/mol. Its IUPAC name is 1-[[3-chloro-5-(2-methyl-4-pyridinyl)-2-pyridinyl]oxy]-2,4-dimethylpentan-2-amine.

Molecular Properties

Compound Name1-[[3-chloro-5-(2-methyl-4-pyridinyl)-2-pyridinyl]oxy]-2,4-dimethylpentan-2-amine
PubChem CID134285449
Molecular FormulaC18H24ClN3O
Molecular Weight333.86 g/mol
Exact Mass333.16
IUPAC Name1-[[3-chloro-5-(2-methyl-4-pyridinyl)-2-pyridinyl]oxy]-2,4-dimethylpentan-2-amine
SMILESCc1cc(-c2cnc(OCC(C)(N)CC(C)C)c(Cl)c2)ccn1
InChIInChI=1S/C18H24ClN3O/c1-12(2)9-18(4,20)11-23-17-16(19)8-15(10-22-17)14-5-6-21-13(3)7-14/h5-8,10,12H,9,11,20H2,1-4H3
InChIKeyFXRWQJAEZHTNFX-UHFFFAOYSA-N
XLogP4.25
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.86
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[[3-chloro-5-(2-methyl-4-pyridinyl)-2-pyridinyl]oxy]-2,4-dimethylpentan-2-amine with MolForge

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Related Compounds

(2S)-1-[[3-chloro-5-(2-methyl-4-pyridinyl)-2-pyridinyl]oxy]-2,4-dimethylpentan-2-amine
CID 118419702
4-(5-chloro-6-fluoro-3-pyridinyl)-6-methylpyrimidine;(2S)-1-[[3-chloro-5-(6-methylpyrimidin-4-yl)-2-pyridinyl]oxy]-2,4-dimethylpentan-2-amine
CID 158113481
1-[[3-chloro-5-(5,7-difluoroquinolin-4-yl)-2-pyridinyl]oxy]-2,4-dimethylpentan-2-amine
CID 123291908
1-(2-chloro-4-pyridazin-4-ylphenoxy)-2,4-dimethylpentan-2-amine
CID 150312529
methyl N-[4-[6-(2-amino-2,4-dimethylpentoxy)-5-(difluoromethyl)-3-pyridinyl]-2-pyridinyl]carbamate
CID 123510763
methyl N-[4-[6-[(2R)-2-amino-2,4-dimethylpentoxy]-5-(difluoromethyl)-3-pyridinyl]-2-pyridinyl]carbamate
CID 129292479
(2S)-1-[(3,5-dimethyl-2-pyridinyl)oxy]-2,4-dimethylpentan-2-amine
CID 145286374
2,4-dimethyl-1-[[7-(2-methyl-4-pyridinyl)-1,3-benzothiazol-4-yl]oxy]pentan-2-amine
CID 137459495
[4-[4-(2-amino-2,4-dimethylpentoxy)-3-chlorophenyl]-2-pyridinyl] carbamate
CID 118420360
N-[4-[4-(2-amino-2,4-dimethylpentoxy)-3-chlorophenyl]-2-pyridinyl]-4-methyl-1,3-thiazol-2-amine
CID 135284503
(2R)-1-[[5-(7-chloroquinolin-4-yl)-3-(difluoromethyl)-2-pyridinyl]oxy]-2,4-dimethylpentan-2-amine
CID 129279919
(2S)-1-[[5-(7-fluoroquinolin-4-yl)-3-methyl-2-pyridinyl]oxy]-2,4-dimethylpentan-2-amine
CID 118429942

Frequently Asked Questions

What is the IUPAC name of 1-[[3-chloro-5-(2-methyl-4-pyridinyl)-2-pyridinyl]oxy]-2,4-dimethylpentan-2-amine?
The IUPAC name of 1-[[3-chloro-5-(2-methyl-4-pyridinyl)-2-pyridinyl]oxy]-2,4-dimethylpentan-2-amine (CID 134285449) is 1-[[3-chloro-5-(2-methyl-4-pyridinyl)-2-pyridinyl]oxy]-2,4-dimethylpentan-2-amine.
What is the SMILES notation for 1-[[3-chloro-5-(2-methyl-4-pyridinyl)-2-pyridinyl]oxy]-2,4-dimethylpentan-2-amine?
The canonical SMILES for 1-[[3-chloro-5-(2-methyl-4-pyridinyl)-2-pyridinyl]oxy]-2,4-dimethylpentan-2-amine is Cc1cc(-c2cnc(OCC(C)(N)CC(C)C)c(Cl)c2)ccn1.
What is the InChIKey of 1-[[3-chloro-5-(2-methyl-4-pyridinyl)-2-pyridinyl]oxy]-2,4-dimethylpentan-2-amine?
The InChIKey is FXRWQJAEZHTNFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24ClN3O/c1-12(2)9-18(4,20)11-23-17-16(19)8-15(10-22-17)14-5-6-21-13(3)7-14/h5-8,10,12H,9,11,20H2,1-4H3.
What are the key properties of 1-[[3-chloro-5-(2-methyl-4-pyridinyl)-2-pyridinyl]oxy]-2,4-dimethylpentan-2-amine?
1-[[3-chloro-5-(2-methyl-4-pyridinyl)-2-pyridinyl]oxy]-2,4-dimethylpentan-2-amine has a molecular weight of 333.86 g/mol, XLogP of 4.25, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-chloro-5-(2-methyl-4-pyridinyl)-2-pyridinyl]oxy]-2,4-dimethylpentan-2-amine is sourced from PubChem (CID 134285449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).