ethane;4-phenyl-2-propan-2-ylpyridine

C16H21N — CID 170732086

IUPACethane;4-phenyl-2-propan-2-ylpyridine
SMILESCC.CC(C)c1cc(-c2ccccc2)ccn1
InChIInChI=1S/C14H15N.C2H6/c1-11(2)14-10-13(8-9-15-14)12-6-4-3-5-7-12;1-2/h3-11H,1-2H3;1-2H3
InChIKeyPUGHRNJYRZDTLX-UHFFFAOYSA-N
MW227.35 g/mol
LogP4.90
Rot. Bonds2

About ethane;4-phenyl-2-propan-2-ylpyridine

ethane;4-phenyl-2-propan-2-ylpyridine (PubChem CID 170732086) has the molecular formula C16H21N and a molecular weight of 227.35 g/mol. Its IUPAC name is ethane;4-phenyl-2-propan-2-ylpyridine.

Molecular Properties

Compound Nameethane;4-phenyl-2-propan-2-ylpyridine
PubChem CID170732086
Molecular FormulaC16H21N
Molecular Weight227.35 g/mol
Exact Mass227.17
IUPAC Nameethane;4-phenyl-2-propan-2-ylpyridine
SMILESCC.CC(C)c1cc(-c2ccccc2)ccn1
InChIInChI=1S/C14H15N.C2H6/c1-11(2)14-10-13(8-9-15-14)12-6-4-3-5-7-12;1-2/h3-11H,1-2H3;1-2H3
InChIKeyPUGHRNJYRZDTLX-UHFFFAOYSA-N
XLogP4.90
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of ethane;4-phenyl-2-propan-2-ylpyridine?
The IUPAC name of ethane;4-phenyl-2-propan-2-ylpyridine (CID 170732086) is ethane;4-phenyl-2-propan-2-ylpyridine.
What is the SMILES notation for ethane;4-phenyl-2-propan-2-ylpyridine?
The canonical SMILES for ethane;4-phenyl-2-propan-2-ylpyridine is CC.CC(C)c1cc(-c2ccccc2)ccn1.
What is the InChIKey of ethane;4-phenyl-2-propan-2-ylpyridine?
The InChIKey is PUGHRNJYRZDTLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N.C2H6/c1-11(2)14-10-13(8-9-15-14)12-6-4-3-5-7-12;1-2/h3-11H,1-2H3;1-2H3.
What are the key properties of ethane;4-phenyl-2-propan-2-ylpyridine?
ethane;4-phenyl-2-propan-2-ylpyridine has a molecular weight of 227.35 g/mol, XLogP of 4.90, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-phenyl-2-propan-2-ylpyridine is sourced from PubChem (CID 170732086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).