1-[5-(2-fluoro-3-methylphenoxy)-3-pyridinyl]butan-2-amine

C16H19FN2O — CID 107661741

IUPAC1-[5-(2-fluoro-3-methylphenoxy)-3-pyridinyl]butan-2-amine
SMILESCCC(N)Cc1cncc(Oc2cccc(C)c2F)c1
InChIInChI=1S/C16H19FN2O/c1-3-13(18)7-12-8-14(10-19-9-12)20-15-6-4-5-11(2)16(15)17/h4-6,8-10,13H,3,7,18H2,1-2H3
InChIKeyGGJBQRLFJAGMQR-UHFFFAOYSA-N
MW274.34 g/mol
LogP3.60
Rot. Bonds5

About 1-[5-(2-fluoro-3-methylphenoxy)-3-pyridinyl]butan-2-amine

1-[5-(2-fluoro-3-methylphenoxy)-3-pyridinyl]butan-2-amine (PubChem CID 107661741) has the molecular formula C16H19FN2O and a molecular weight of 274.34 g/mol. Its IUPAC name is 1-[5-(2-fluoro-3-methylphenoxy)-3-pyridinyl]butan-2-amine.

Molecular Properties

Compound Name1-[5-(2-fluoro-3-methylphenoxy)-3-pyridinyl]butan-2-amine
PubChem CID107661741
Molecular FormulaC16H19FN2O
Molecular Weight274.34 g/mol
Exact Mass274.15
IUPAC Name1-[5-(2-fluoro-3-methylphenoxy)-3-pyridinyl]butan-2-amine
SMILESCCC(N)Cc1cncc(Oc2cccc(C)c2F)c1
InChIInChI=1S/C16H19FN2O/c1-3-13(18)7-12-8-14(10-19-9-12)20-15-6-4-5-11(2)16(15)17/h4-6,8-10,13H,3,7,18H2,1-2H3
InChIKeyGGJBQRLFJAGMQR-UHFFFAOYSA-N
XLogP3.60
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.34
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-(5-fluoro-2-methylphenoxy)phenyl]butan-2-amine
CID 102990384
1-[2-(2-fluoro-3-methylphenoxy)phenyl]butan-2-amine
CID 107661732
5-(2-fluoro-3-methylphenoxy)-N-methylpyridin-3-amine
CID 107662735
1-[3-(2,5-difluorophenoxy)phenyl]butan-2-amine
CID 63944119
1-[3-(2,5-dimethylphenoxy)phenyl]butan-2-amine
CID 63941760
1-[4-methyl-3-(2-methylphenoxy)phenyl]butan-2-amine
CID 105411019
1-[3-(2-chlorophenoxy)phenyl]butan-2-amine
CID 63941363
1-[6-(2,3-dichlorophenoxy)-5-methyl-3-pyridinyl]butan-2-amine
CID 80626845
1-[5-(aminomethyl)-3-pyridinyl]butan-2-amine
CID 170890843
1-(3-methyl-4-phenoxyphenyl)butan-2-amine
CID 63803795
1-[3-(pyridin-3-ylmethoxy)phenyl]butan-2-amine
CID 54929362
(1R)-1-[2-(2-fluoro-3-methylphenoxy)phenyl]propan-1-amine
CID 107658799

Frequently Asked Questions

What is the IUPAC name of 1-[5-(2-fluoro-3-methylphenoxy)-3-pyridinyl]butan-2-amine?
The IUPAC name of 1-[5-(2-fluoro-3-methylphenoxy)-3-pyridinyl]butan-2-amine (CID 107661741) is 1-[5-(2-fluoro-3-methylphenoxy)-3-pyridinyl]butan-2-amine.
What is the SMILES notation for 1-[5-(2-fluoro-3-methylphenoxy)-3-pyridinyl]butan-2-amine?
The canonical SMILES for 1-[5-(2-fluoro-3-methylphenoxy)-3-pyridinyl]butan-2-amine is CCC(N)Cc1cncc(Oc2cccc(C)c2F)c1.
What is the InChIKey of 1-[5-(2-fluoro-3-methylphenoxy)-3-pyridinyl]butan-2-amine?
The InChIKey is GGJBQRLFJAGMQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN2O/c1-3-13(18)7-12-8-14(10-19-9-12)20-15-6-4-5-11(2)16(15)17/h4-6,8-10,13H,3,7,18H2,1-2H3.
What are the key properties of 1-[5-(2-fluoro-3-methylphenoxy)-3-pyridinyl]butan-2-amine?
1-[5-(2-fluoro-3-methylphenoxy)-3-pyridinyl]butan-2-amine has a molecular weight of 274.34 g/mol, XLogP of 3.60, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2-fluoro-3-methylphenoxy)-3-pyridinyl]butan-2-amine is sourced from PubChem (CID 107661741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).