1-[5-(2-propan-2-ylphenoxy)-2-pyridinyl]propan-1-amine

C17H22N2O — CID 115939981

IUPAC1-[5-(2-propan-2-ylphenoxy)-2-pyridinyl]propan-1-amine
SMILESCCC(N)c1ccc(Oc2ccccc2C(C)C)cn1
InChIInChI=1S/C17H22N2O/c1-4-15(18)16-10-9-13(11-19-16)20-17-8-6-5-7-14(17)12(2)3/h5-12,15H,4,18H2,1-3H3
InChIKeyWFJVZSZKDBKLHH-UHFFFAOYSA-N
MW270.38 g/mol
LogP4.41
Rot. Bonds5

About 1-[5-(2-propan-2-ylphenoxy)-2-pyridinyl]propan-1-amine

1-[5-(2-propan-2-ylphenoxy)-2-pyridinyl]propan-1-amine (PubChem CID 115939981) has the molecular formula C17H22N2O and a molecular weight of 270.38 g/mol. Its IUPAC name is 1-[5-(2-propan-2-ylphenoxy)-2-pyridinyl]propan-1-amine.

Molecular Properties

Compound Name1-[5-(2-propan-2-ylphenoxy)-2-pyridinyl]propan-1-amine
PubChem CID115939981
Molecular FormulaC17H22N2O
Molecular Weight270.38 g/mol
Exact Mass270.17
IUPAC Name1-[5-(2-propan-2-ylphenoxy)-2-pyridinyl]propan-1-amine
SMILESCCC(N)c1ccc(Oc2ccccc2C(C)C)cn1
InChIInChI=1S/C17H22N2O/c1-4-15(18)16-10-9-13(11-19-16)20-17-8-6-5-7-14(17)12(2)3/h5-12,15H,4,18H2,1-3H3
InChIKeyWFJVZSZKDBKLHH-UHFFFAOYSA-N
XLogP4.41
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 ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-1-[5-(5-methyl-2-propan-2-ylphenoxy)-2-pyridinyl]propan-1-amine
CID 103937752
(1R)-1-[5-(5-methyl-2-propan-2-ylphenoxy)-2-pyridinyl]propan-1-amine
CID 103937751
(1S)-1-[5-[(2-methyl-3-pyridinyl)oxy]-2-pyridinyl]propan-1-amine
CID 103938021
2-[[6-[(1R)-1-aminopropyl]-3-pyridinyl]oxy]benzamide
CID 103937678
(1S)-1-[5-(3-methyl-4-propan-2-ylphenoxy)-2-pyridinyl]propan-1-amine
CID 103937754
(1R)-1-[5-(2,3-dichlorophenoxy)-2-pyridinyl]propan-1-amine
CID 103937652
(1R)-1-[5-(2-methyl-5-propan-2-ylphenoxy)-2-pyridinyl]propan-1-amine
CID 103937883
(1R)-1-(5-quinolin-5-yloxy-2-pyridinyl)propan-1-amine
CID 103044924
(1S)-1-[5-(3,5-dichlorophenoxy)-2-pyridinyl]propan-1-amine
CID 103937870
(1S)-1-[2-(4-propan-2-ylphenoxy)phenyl]propan-1-amine
CID 103959232
(1S)-1-[5-(4-bromophenoxy)-2-pyridinyl]propan-1-amine
CID 103937759
(1S)-1-[5-(4-iodophenoxy)-2-pyridinyl]propan-1-amine
CID 103937836

Frequently Asked Questions

What is the IUPAC name of 1-[5-(2-propan-2-ylphenoxy)-2-pyridinyl]propan-1-amine?
The IUPAC name of 1-[5-(2-propan-2-ylphenoxy)-2-pyridinyl]propan-1-amine (CID 115939981) is 1-[5-(2-propan-2-ylphenoxy)-2-pyridinyl]propan-1-amine.
What is the SMILES notation for 1-[5-(2-propan-2-ylphenoxy)-2-pyridinyl]propan-1-amine?
The canonical SMILES for 1-[5-(2-propan-2-ylphenoxy)-2-pyridinyl]propan-1-amine is CCC(N)c1ccc(Oc2ccccc2C(C)C)cn1.
What is the InChIKey of 1-[5-(2-propan-2-ylphenoxy)-2-pyridinyl]propan-1-amine?
The InChIKey is WFJVZSZKDBKLHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O/c1-4-15(18)16-10-9-13(11-19-16)20-17-8-6-5-7-14(17)12(2)3/h5-12,15H,4,18H2,1-3H3.
What are the key properties of 1-[5-(2-propan-2-ylphenoxy)-2-pyridinyl]propan-1-amine?
1-[5-(2-propan-2-ylphenoxy)-2-pyridinyl]propan-1-amine has a molecular weight of 270.38 g/mol, XLogP of 4.41, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2-propan-2-ylphenoxy)-2-pyridinyl]propan-1-amine is sourced from PubChem (CID 115939981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).