1-[6-(3,5-dimethylphenoxy)-3-pyridinyl]butan-2-amine

C17H22N2O — CID 80640337

IUPAC1-[6-(3,5-dimethylphenoxy)-3-pyridinyl]butan-2-amine
SMILESCCC(N)Cc1ccc(Oc2cc(C)cc(C)c2)nc1
InChIInChI=1S/C17H22N2O/c1-4-15(18)10-14-5-6-17(19-11-14)20-16-8-12(2)7-13(3)9-16/h5-9,11,15H,4,10,18H2,1-3H3
InChIKeyBYWJSJAAWDDMRO-UHFFFAOYSA-N
MW270.38 g/mol
LogP3.77
Rot. Bonds5

About 1-[6-(3,5-dimethylphenoxy)-3-pyridinyl]butan-2-amine

1-[6-(3,5-dimethylphenoxy)-3-pyridinyl]butan-2-amine (PubChem CID 80640337) has the molecular formula C17H22N2O and a molecular weight of 270.38 g/mol. Its IUPAC name is 1-[6-(3,5-dimethylphenoxy)-3-pyridinyl]butan-2-amine.

Molecular Properties

Compound Name1-[6-(3,5-dimethylphenoxy)-3-pyridinyl]butan-2-amine
PubChem CID80640337
Molecular FormulaC17H22N2O
Molecular Weight270.38 g/mol
Exact Mass270.17
IUPAC Name1-[6-(3,5-dimethylphenoxy)-3-pyridinyl]butan-2-amine
SMILESCCC(N)Cc1ccc(Oc2cc(C)cc(C)c2)nc1
InChIInChI=1S/C17H22N2O/c1-4-15(18)10-14-5-6-17(19-11-14)20-16-8-12(2)7-13(3)9-16/h5-9,11,15H,4,10,18H2,1-3H3
InChIKeyBYWJSJAAWDDMRO-UHFFFAOYSA-N
XLogP3.77
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[6-(3,5-dichlorophenoxy)-3-pyridinyl]butan-2-amine
CID 80640652
1-[6-(4-chlorophenoxy)-3-pyridinyl]butan-2-amine
CID 80640336
1-[6-(3-propan-2-ylphenoxy)-3-pyridinyl]butan-2-amine
CID 80626959
1-[6-(2,3,6-trimethylphenoxy)-3-pyridinyl]butan-2-amine
CID 80627302
5-(chloromethyl)-2-(3,5-dimethylphenoxy)pyridine
CID 61270098
1-[6-(4-bromo-2-methylphenoxy)-3-pyridinyl]butan-2-amine
CID 80640067
1-[6-[(2-methyl-3-pyridinyl)oxy]-3-pyridinyl]butan-2-amine
CID 80639341
1-[6-(4-bromo-2-fluorophenoxy)-3-pyridinyl]butan-2-amine
CID 80640738
1-[6-(2-bromo-4-chlorophenoxy)-3-pyridinyl]butan-2-amine
CID 80640546
(2S)-1-(3,5-dimethylphenyl)butan-2-amine
CID 104932267
N-[[6-(3,5-dimethylphenoxy)-3-pyridinyl]methyl]-2-methoxyethanamine
CID 80636920
1-[6-(4-chloro-3-methylphenoxy)-3-pyridinyl]propan-2-amine
CID 80640424

Frequently Asked Questions

What is the IUPAC name of 1-[6-(3,5-dimethylphenoxy)-3-pyridinyl]butan-2-amine?
The IUPAC name of 1-[6-(3,5-dimethylphenoxy)-3-pyridinyl]butan-2-amine (CID 80640337) is 1-[6-(3,5-dimethylphenoxy)-3-pyridinyl]butan-2-amine.
What is the SMILES notation for 1-[6-(3,5-dimethylphenoxy)-3-pyridinyl]butan-2-amine?
The canonical SMILES for 1-[6-(3,5-dimethylphenoxy)-3-pyridinyl]butan-2-amine is CCC(N)Cc1ccc(Oc2cc(C)cc(C)c2)nc1.
What is the InChIKey of 1-[6-(3,5-dimethylphenoxy)-3-pyridinyl]butan-2-amine?
The InChIKey is BYWJSJAAWDDMRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O/c1-4-15(18)10-14-5-6-17(19-11-14)20-16-8-12(2)7-13(3)9-16/h5-9,11,15H,4,10,18H2,1-3H3.
What are the key properties of 1-[6-(3,5-dimethylphenoxy)-3-pyridinyl]butan-2-amine?
1-[6-(3,5-dimethylphenoxy)-3-pyridinyl]butan-2-amine has a molecular weight of 270.38 g/mol, XLogP of 3.77, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(3,5-dimethylphenoxy)-3-pyridinyl]butan-2-amine is sourced from PubChem (CID 80640337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).