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

C18H24FN3O — CID 118420161

IUPAC(2S)-1-[[5-(2-fluoro-4-pyridinyl)-3-methyl-2-pyridinyl]oxy]-2,4-dimethylpentan-2-amine
SMILESCc1cc(-c2ccnc(F)c2)cnc1OC[C@@](C)(N)CC(C)C
InChIInChI=1S/C18H24FN3O/c1-12(2)9-18(4,20)11-23-17-13(3)7-15(10-22-17)14-5-6-21-16(19)8-14/h5-8,10,12H,9,11,20H2,1-4H3/t18-/m0/s1
InChIKeyGHXIQNNBBSWTNU-SFHVURJKSA-N
MW317.41 g/mol
LogP3.73
Rot. Bonds6

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

(2S)-1-[[5-(2-fluoro-4-pyridinyl)-3-methyl-2-pyridinyl]oxy]-2,4-dimethylpentan-2-amine (PubChem CID 118420161) has the molecular formula C18H24FN3O and a molecular weight of 317.41 g/mol. Its IUPAC name is (2S)-1-[[5-(2-fluoro-4-pyridinyl)-3-methyl-2-pyridinyl]oxy]-2,4-dimethylpentan-2-amine.

Molecular Properties

Compound Name(2S)-1-[[5-(2-fluoro-4-pyridinyl)-3-methyl-2-pyridinyl]oxy]-2,4-dimethylpentan-2-amine
PubChem CID118420161
Molecular FormulaC18H24FN3O
Molecular Weight317.41 g/mol
Exact Mass317.19
IUPAC Name(2S)-1-[[5-(2-fluoro-4-pyridinyl)-3-methyl-2-pyridinyl]oxy]-2,4-dimethylpentan-2-amine
SMILESCc1cc(-c2ccnc(F)c2)cnc1OC[C@@](C)(N)CC(C)C
InChIInChI=1S/C18H24FN3O/c1-12(2)9-18(4,20)11-23-17-13(3)7-15(10-22-17)14-5-6-21-16(19)8-14/h5-8,10,12H,9,11,20H2,1-4H3/t18-/m0/s1
InChIKeyGHXIQNNBBSWTNU-SFHVURJKSA-N
XLogP3.73
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.41
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Florbetapir F-18
CID 24822371
Pilavapadin
CID 118419773
4-[(E)-2-[6-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]pyridin-3-yl]ethenyl]-N-methylaniline
CID 57396865
3-[(2S)-2-amino-3,3-diphenylpropoxy]-5-[(E)-2-(pyridin-4-yl)ethenyl]pyridine
CID 10287639
2-Phenoxy-3-(piperidin-4-yl)pyridine
CID 44133490
2-(2-Fluorophenoxy)-3-(piperidin-4-yl)pyridine
CID 44133851
3-((S)-1-Methyl-pyrrolidin-2-ylmethoxy)-5-(2-pyridin-4-yl-ethyl)-pyridine
CID 10469925
5-(3-Pyridyl)-3-(1-methyl-2-(s)-pyrrolidinylmethoxy)pyridine
CID 15480241
4-Phenyl-7-(3-(piperidin-1-yl)propoxy)-1,2,3,4-tetrahydro-2,6-naphthyridine
CID 15983456
N,N-diethyl-3-(6-methyl-8-phenyl-5,6,7,8-tetrahydro-2,6-naphthyridin-3-yloxy)propan-1-amine
CID 15983457
7-(6-Methoxy-3-pyridinyl)-3-azabicyclo[3.3.1]non-6-ene
CID 57486266
US10155760, Example 126
CID 118419759

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[[5-(2-fluoro-4-pyridinyl)-3-methyl-2-pyridinyl]oxy]-2,4-dimethylpentan-2-amine?
The IUPAC name of (2S)-1-[[5-(2-fluoro-4-pyridinyl)-3-methyl-2-pyridinyl]oxy]-2,4-dimethylpentan-2-amine (CID 118420161) is (2S)-1-[[5-(2-fluoro-4-pyridinyl)-3-methyl-2-pyridinyl]oxy]-2,4-dimethylpentan-2-amine.
What is the SMILES notation for (2S)-1-[[5-(2-fluoro-4-pyridinyl)-3-methyl-2-pyridinyl]oxy]-2,4-dimethylpentan-2-amine?
The canonical SMILES for (2S)-1-[[5-(2-fluoro-4-pyridinyl)-3-methyl-2-pyridinyl]oxy]-2,4-dimethylpentan-2-amine is Cc1cc(-c2ccnc(F)c2)cnc1OC[C@@](C)(N)CC(C)C.
What is the InChIKey of (2S)-1-[[5-(2-fluoro-4-pyridinyl)-3-methyl-2-pyridinyl]oxy]-2,4-dimethylpentan-2-amine?
The InChIKey is GHXIQNNBBSWTNU-SFHVURJKSA-N. The full InChI is InChI=1S/C18H24FN3O/c1-12(2)9-18(4,20)11-23-17-13(3)7-15(10-22-17)14-5-6-21-16(19)8-14/h5-8,10,12H,9,11,20H2,1-4H3/t18-/m0/s1.
What are the key properties of (2S)-1-[[5-(2-fluoro-4-pyridinyl)-3-methyl-2-pyridinyl]oxy]-2,4-dimethylpentan-2-amine?
(2S)-1-[[5-(2-fluoro-4-pyridinyl)-3-methyl-2-pyridinyl]oxy]-2,4-dimethylpentan-2-amine has a molecular weight of 317.41 g/mol, XLogP of 3.73, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[[5-(2-fluoro-4-pyridinyl)-3-methyl-2-pyridinyl]oxy]-2,4-dimethylpentan-2-amine is sourced from PubChem (CID 118420161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).