3-(4-chlorophenyl)-5-(4-propan-2-yloxyphenyl)pyridin-2-amine

C20H19ClN2O — CID 162661285

IUPAC3-(4-chlorophenyl)-5-(4-propan-2-yloxyphenyl)pyridin-2-amine
SMILESCC(C)Oc1ccc(-c2cnc(N)c(-c3ccc(Cl)cc3)c2)cc1
InChIInChI=1S/C20H19ClN2O/c1-13(2)24-18-9-5-14(6-10-18)16-11-19(20(22)23-12-16)15-3-7-17(21)8-4-15/h3-13H,1-2H3,(H2,22,23)
InChIKeyUKPKTCIIRKZNSE-UHFFFAOYSA-N
MW338.84 g/mol
LogP5.44
Rot. Bonds4

About 3-(4-chlorophenyl)-5-(4-propan-2-yloxyphenyl)pyridin-2-amine

3-(4-chlorophenyl)-5-(4-propan-2-yloxyphenyl)pyridin-2-amine (PubChem CID 162661285) has the molecular formula C20H19ClN2O and a molecular weight of 338.84 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-5-(4-propan-2-yloxyphenyl)pyridin-2-amine.

Molecular Properties

Compound Name3-(4-chlorophenyl)-5-(4-propan-2-yloxyphenyl)pyridin-2-amine
PubChem CID162661285
Molecular FormulaC20H19ClN2O
Molecular Weight338.84 g/mol
Exact Mass338.12
IUPAC Name3-(4-chlorophenyl)-5-(4-propan-2-yloxyphenyl)pyridin-2-amine
SMILESCC(C)Oc1ccc(-c2cnc(N)c(-c3ccc(Cl)cc3)c2)cc1
InChIInChI=1S/C20H19ClN2O/c1-13(2)24-18-9-5-14(6-10-18)16-11-19(20(22)23-12-16)15-3-7-17(21)8-4-15/h3-13H,1-2H3,(H2,22,23)
InChIKeyUKPKTCIIRKZNSE-UHFFFAOYSA-N
XLogP5.44
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.84
LogP ≤ 55.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-5-(4-propan-2-yloxyphenyl)pyridin-2-amine?
The IUPAC name of 3-(4-chlorophenyl)-5-(4-propan-2-yloxyphenyl)pyridin-2-amine (CID 162661285) is 3-(4-chlorophenyl)-5-(4-propan-2-yloxyphenyl)pyridin-2-amine.
What is the SMILES notation for 3-(4-chlorophenyl)-5-(4-propan-2-yloxyphenyl)pyridin-2-amine?
The canonical SMILES for 3-(4-chlorophenyl)-5-(4-propan-2-yloxyphenyl)pyridin-2-amine is CC(C)Oc1ccc(-c2cnc(N)c(-c3ccc(Cl)cc3)c2)cc1.
What is the InChIKey of 3-(4-chlorophenyl)-5-(4-propan-2-yloxyphenyl)pyridin-2-amine?
The InChIKey is UKPKTCIIRKZNSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN2O/c1-13(2)24-18-9-5-14(6-10-18)16-11-19(20(22)23-12-16)15-3-7-17(21)8-4-15/h3-13H,1-2H3,(H2,22,23).
What are the key properties of 3-(4-chlorophenyl)-5-(4-propan-2-yloxyphenyl)pyridin-2-amine?
3-(4-chlorophenyl)-5-(4-propan-2-yloxyphenyl)pyridin-2-amine has a molecular weight of 338.84 g/mol, XLogP of 5.44, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-5-(4-propan-2-yloxyphenyl)pyridin-2-amine is sourced from PubChem (CID 162661285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).