1-[6-(4-chlorophenoxy)-3-pyridinyl]butan-2-amine

C15H17ClN2O — CID 80640336

IUPAC1-[6-(4-chlorophenoxy)-3-pyridinyl]butan-2-amine
SMILESCCC(N)Cc1ccc(Oc2ccc(Cl)cc2)nc1
InChIInChI=1S/C15H17ClN2O/c1-2-13(17)9-11-3-8-15(18-10-11)19-14-6-4-12(16)5-7-14/h3-8,10,13H,2,9,17H2,1H3
InChIKeyJXGHEBYJKWDENG-UHFFFAOYSA-N
MW276.77 g/mol
LogP3.81
Rot. Bonds5

About 1-[6-(4-chlorophenoxy)-3-pyridinyl]butan-2-amine

1-[6-(4-chlorophenoxy)-3-pyridinyl]butan-2-amine (PubChem CID 80640336) has the molecular formula C15H17ClN2O and a molecular weight of 276.77 g/mol. Its IUPAC name is 1-[6-(4-chlorophenoxy)-3-pyridinyl]butan-2-amine.

Molecular Properties

Compound Name1-[6-(4-chlorophenoxy)-3-pyridinyl]butan-2-amine
PubChem CID80640336
Molecular FormulaC15H17ClN2O
Molecular Weight276.77 g/mol
Exact Mass276.10
IUPAC Name1-[6-(4-chlorophenoxy)-3-pyridinyl]butan-2-amine
SMILESCCC(N)Cc1ccc(Oc2ccc(Cl)cc2)nc1
InChIInChI=1S/C15H17ClN2O/c1-2-13(17)9-11-3-8-15(18-10-11)19-14-6-4-12(16)5-7-14/h3-8,10,13H,2,9,17H2,1H3
InChIKeyJXGHEBYJKWDENG-UHFFFAOYSA-N
XLogP3.81
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.77
LogP ≤ 53.81
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-(3,5-dimethylphenoxy)-3-pyridinyl]butan-2-amine
CID 80640337
1-[6-(2-bromo-4-chlorophenoxy)-3-pyridinyl]butan-2-amine
CID 80640546
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
N-[[6-(4-chlorophenoxy)-3-pyridinyl]methyl]-2-methylpropan-1-amine
CID 62296432
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-(4-fluorophenoxy)-3-pyridinyl]propan-2-amine
CID 80640056
1-[6-(4-bromo-2-methylphenoxy)-3-pyridinyl]butan-2-amine
CID 80640067
5-chloro-2-(4-ethoxyphenoxy)pyridine
CID 66234109
1-[4-(4-ethoxyphenoxy)phenyl]butan-2-amine
CID 63816977

Frequently Asked Questions

What is the IUPAC name of 1-[6-(4-chlorophenoxy)-3-pyridinyl]butan-2-amine?
The IUPAC name of 1-[6-(4-chlorophenoxy)-3-pyridinyl]butan-2-amine (CID 80640336) is 1-[6-(4-chlorophenoxy)-3-pyridinyl]butan-2-amine.
What is the SMILES notation for 1-[6-(4-chlorophenoxy)-3-pyridinyl]butan-2-amine?
The canonical SMILES for 1-[6-(4-chlorophenoxy)-3-pyridinyl]butan-2-amine is CCC(N)Cc1ccc(Oc2ccc(Cl)cc2)nc1.
What is the InChIKey of 1-[6-(4-chlorophenoxy)-3-pyridinyl]butan-2-amine?
The InChIKey is JXGHEBYJKWDENG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O/c1-2-13(17)9-11-3-8-15(18-10-11)19-14-6-4-12(16)5-7-14/h3-8,10,13H,2,9,17H2,1H3.
What are the key properties of 1-[6-(4-chlorophenoxy)-3-pyridinyl]butan-2-amine?
1-[6-(4-chlorophenoxy)-3-pyridinyl]butan-2-amine has a molecular weight of 276.77 g/mol, XLogP of 3.81, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(4-chlorophenoxy)-3-pyridinyl]butan-2-amine is sourced from PubChem (CID 80640336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).