1-[4-(3-fluoro-4-methylphenoxy)-2-pyridinyl]-N,N-dimethylazetidin-3-amine

C17H20FN3O — CID 170746872

IUPAC1-[4-(3-fluoro-4-methylphenoxy)-2-pyridinyl]-N,N-dimethylazetidin-3-amine
SMILESCc1ccc(Oc2ccnc(N3CC(N(C)C)C3)c2)cc1F
InChIInChI=1S/C17H20FN3O/c1-12-4-5-14(8-16(12)18)22-15-6-7-19-17(9-15)21-10-13(11-21)20(2)3/h4-9,13H,10-11H2,1-3H3
InChIKeyAIMYHPQYTPBYHJ-UHFFFAOYSA-N
MW301.37 g/mol
LogP3.07
Rot. Bonds4

About 1-[4-(3-fluoro-4-methylphenoxy)-2-pyridinyl]-N,N-dimethylazetidin-3-amine

1-[4-(3-fluoro-4-methylphenoxy)-2-pyridinyl]-N,N-dimethylazetidin-3-amine (PubChem CID 170746872) has the molecular formula C17H20FN3O and a molecular weight of 301.37 g/mol. Its IUPAC name is 1-[4-(3-fluoro-4-methylphenoxy)-2-pyridinyl]-N,N-dimethylazetidin-3-amine.

Molecular Properties

Compound Name1-[4-(3-fluoro-4-methylphenoxy)-2-pyridinyl]-N,N-dimethylazetidin-3-amine
PubChem CID170746872
Molecular FormulaC17H20FN3O
Molecular Weight301.37 g/mol
Exact Mass301.16
IUPAC Name1-[4-(3-fluoro-4-methylphenoxy)-2-pyridinyl]-N,N-dimethylazetidin-3-amine
SMILESCc1ccc(Oc2ccnc(N3CC(N(C)C)C3)c2)cc1F
InChIInChI=1S/C17H20FN3O/c1-12-4-5-14(8-16(12)18)22-15-6-7-19-17(9-15)21-10-13(11-21)20(2)3/h4-9,13H,10-11H2,1-3H3
InChIKeyAIMYHPQYTPBYHJ-UHFFFAOYSA-N
XLogP3.07
TPSA28.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.37
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[4-(3-fluoro-4-methylphenoxy)-2-pyridinyl]-N,N-dimethylazetidin-3-amine with MolForge

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Related Compounds

1-(5-ethoxy-2-pyridinyl)-N,N-dimethylazetidin-3-amine
CID 142389310
[2-[4-(dimethylamino)piperidin-1-yl]-4-pyridinyl]oxyboronic acid
CID 142794515
4-(3-fluoro-4-methylphenoxy)-N-phenylpyridin-2-amine
CID 170746492
[2-fluoro-4-[[2-(3-methoxy-3-methylazetidin-1-yl)-4-pyridinyl]oxy]phenyl]carbamic acid
CID 174192059
1-[4-[4-(trifluoromethoxy)phenoxy]-2-pyridinyl]piperidin-4-amine
CID 134813656
2-[4-(4-tert-butyl-3-fluorophenoxy)-2-pyridinyl]-7-oxa-2-azaspiro[3.5]nonane
CID 170931542
N-[4-[[2-[3-(dimethylamino)pyrrolidin-1-yl]-4-pyridinyl]oxy]-2-fluorophenyl]-7-methoxy-6-(1-methylpiperidin-4-yl)oxyquinazolin-4-amine;prop-2-enal
CID 164870046
1-(6-chloropyrimidin-4-yl)-N,N-dimethylazetidin-3-amine
CID 87290230
2-(3-fluoro-4-methylphenoxy)pyridin-3-amine
CID 107168496
2-fluoro-1-methyl-4-[4-(4-methylcyclohexyl)phenoxy]benzene
CID 126651890
2-(3-fluoro-4-methylphenoxy)pyrimidin-5-amine
CID 107168482
1-[2-(3-fluoro-4-methylphenoxy)-3-pyridinyl]ethanamine
CID 114056793

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-fluoro-4-methylphenoxy)-2-pyridinyl]-N,N-dimethylazetidin-3-amine?
The IUPAC name of 1-[4-(3-fluoro-4-methylphenoxy)-2-pyridinyl]-N,N-dimethylazetidin-3-amine (CID 170746872) is 1-[4-(3-fluoro-4-methylphenoxy)-2-pyridinyl]-N,N-dimethylazetidin-3-amine.
What is the SMILES notation for 1-[4-(3-fluoro-4-methylphenoxy)-2-pyridinyl]-N,N-dimethylazetidin-3-amine?
The canonical SMILES for 1-[4-(3-fluoro-4-methylphenoxy)-2-pyridinyl]-N,N-dimethylazetidin-3-amine is Cc1ccc(Oc2ccnc(N3CC(N(C)C)C3)c2)cc1F.
What is the InChIKey of 1-[4-(3-fluoro-4-methylphenoxy)-2-pyridinyl]-N,N-dimethylazetidin-3-amine?
The InChIKey is AIMYHPQYTPBYHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN3O/c1-12-4-5-14(8-16(12)18)22-15-6-7-19-17(9-15)21-10-13(11-21)20(2)3/h4-9,13H,10-11H2,1-3H3.
What are the key properties of 1-[4-(3-fluoro-4-methylphenoxy)-2-pyridinyl]-N,N-dimethylazetidin-3-amine?
1-[4-(3-fluoro-4-methylphenoxy)-2-pyridinyl]-N,N-dimethylazetidin-3-amine has a molecular weight of 301.37 g/mol, XLogP of 3.07, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-fluoro-4-methylphenoxy)-2-pyridinyl]-N,N-dimethylazetidin-3-amine is sourced from PubChem (CID 170746872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).