3-[1-[3-methyl-5-(2-propan-2-ylphenyl)phenoxy]propan-2-yl]pyridin-4-amine

C24H28N2O — CID 70087432

IUPAC3-[1-[3-methyl-5-(2-propan-2-ylphenyl)phenoxy]propan-2-yl]pyridin-4-amine
SMILESCc1cc(OCC(C)c2cnccc2N)cc(-c2ccccc2C(C)C)c1
InChIInChI=1S/C24H28N2O/c1-16(2)21-7-5-6-8-22(21)19-11-17(3)12-20(13-19)27-15-18(4)23-14-26-10-9-24(23)25/h5-14,16,18H,15H2,1-4H3,(H2,25,26)
InChIKeyNWDHVKARXPHTJK-UHFFFAOYSA-N
MW360.50 g/mol
LogP5.95
Rot. Bonds6

About 3-[1-[3-methyl-5-(2-propan-2-ylphenyl)phenoxy]propan-2-yl]pyridin-4-amine

3-[1-[3-methyl-5-(2-propan-2-ylphenyl)phenoxy]propan-2-yl]pyridin-4-amine (PubChem CID 70087432) has the molecular formula C24H28N2O and a molecular weight of 360.50 g/mol. Its IUPAC name is 3-[1-[3-methyl-5-(2-propan-2-ylphenyl)phenoxy]propan-2-yl]pyridin-4-amine.

Molecular Properties

Compound Name3-[1-[3-methyl-5-(2-propan-2-ylphenyl)phenoxy]propan-2-yl]pyridin-4-amine
PubChem CID70087432
Molecular FormulaC24H28N2O
Molecular Weight360.50 g/mol
Exact Mass360.22
IUPAC Name3-[1-[3-methyl-5-(2-propan-2-ylphenyl)phenoxy]propan-2-yl]pyridin-4-amine
SMILESCc1cc(OCC(C)c2cnccc2N)cc(-c2ccccc2C(C)C)c1
InChIInChI=1S/C24H28N2O/c1-16(2)21-7-5-6-8-22(21)19-11-17(3)12-20(13-19)27-15-18(4)23-14-26-10-9-24(23)25/h5-14,16,18H,15H2,1-4H3,(H2,25,26)
InChIKeyNWDHVKARXPHTJK-UHFFFAOYSA-N
XLogP5.95
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.50
LogP ≤ 55.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[1-[3-methyl-5-(2-propan-2-ylphenyl)phenoxy]propan-2-yl]pyridin-4-amine?
The IUPAC name of 3-[1-[3-methyl-5-(2-propan-2-ylphenyl)phenoxy]propan-2-yl]pyridin-4-amine (CID 70087432) is 3-[1-[3-methyl-5-(2-propan-2-ylphenyl)phenoxy]propan-2-yl]pyridin-4-amine.
What is the SMILES notation for 3-[1-[3-methyl-5-(2-propan-2-ylphenyl)phenoxy]propan-2-yl]pyridin-4-amine?
The canonical SMILES for 3-[1-[3-methyl-5-(2-propan-2-ylphenyl)phenoxy]propan-2-yl]pyridin-4-amine is Cc1cc(OCC(C)c2cnccc2N)cc(-c2ccccc2C(C)C)c1.
What is the InChIKey of 3-[1-[3-methyl-5-(2-propan-2-ylphenyl)phenoxy]propan-2-yl]pyridin-4-amine?
The InChIKey is NWDHVKARXPHTJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O/c1-16(2)21-7-5-6-8-22(21)19-11-17(3)12-20(13-19)27-15-18(4)23-14-26-10-9-24(23)25/h5-14,16,18H,15H2,1-4H3,(H2,25,26).
What are the key properties of 3-[1-[3-methyl-5-(2-propan-2-ylphenyl)phenoxy]propan-2-yl]pyridin-4-amine?
3-[1-[3-methyl-5-(2-propan-2-ylphenyl)phenoxy]propan-2-yl]pyridin-4-amine has a molecular weight of 360.50 g/mol, XLogP of 5.95, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[3-methyl-5-(2-propan-2-ylphenyl)phenoxy]propan-2-yl]pyridin-4-amine is sourced from PubChem (CID 70087432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).