ethane;2-(1-phenylethyl)pyridine

C17H25N — CID 143899083

IUPACethane;2-(1-phenylethyl)pyridine
SMILESCC.CC.CC(c1ccccc1)c1ccccn1
InChIInChI=1S/C13H13N.2C2H6/c1-11(12-7-3-2-4-8-12)13-9-5-6-10-14-13;2*1-2/h2-11H,1H3;2*1-2H3
InChIKeyCEGGRKRIQYEFGA-UHFFFAOYSA-N
MW243.39 g/mol
LogP5.29
Rot. Bonds2

About ethane;2-(1-phenylethyl)pyridine

ethane;2-(1-phenylethyl)pyridine (PubChem CID 143899083) has the molecular formula C17H25N and a molecular weight of 243.39 g/mol. Its IUPAC name is ethane;2-(1-phenylethyl)pyridine.

Molecular Properties

Compound Nameethane;2-(1-phenylethyl)pyridine
PubChem CID143899083
Molecular FormulaC17H25N
Molecular Weight243.39 g/mol
Exact Mass243.20
IUPAC Nameethane;2-(1-phenylethyl)pyridine
SMILESCC.CC.CC(c1ccccc1)c1ccccn1
InChIInChI=1S/C13H13N.2C2H6/c1-11(12-7-3-2-4-8-12)13-9-5-6-10-14-13;2*1-2/h2-11H,1H3;2*1-2H3
InChIKeyCEGGRKRIQYEFGA-UHFFFAOYSA-N
XLogP5.29
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500243.39
LogP ≤ 55.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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2-[(2R)-3-methylbutan-2-yl]pyridine
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ethane;2-methylpropane;2-propan-2-ylpyridine
CID 160963174
2-[phenyl(pyridin-2-yl)methyl]pyridine
CID 4110137
ethane;1-phenylethylbenzene
CID 164998811
cumene;ethane;2-propan-2-ylpyridine;3-propan-2-ylpyridine
CID 159528038
N-methyl-1-phenyl-2-pyridin-2-ylpropan-1-amine
CID 66447604
ethane;methane;1-phenylethylbenzene
CID 143105414
1-phenylethylbenzene
CID 142851428
1-phenylethylbenzene
CID 11918
[(1S,2S)-1-phenyl-2-phosphanyl-2-pyridin-2-ylethyl]phosphane
CID 101016472
2-methyl-1-phenyl-N-[(1S)-1-pyridin-2-ylethyl]propan-1-amine
CID 81402344

Frequently Asked Questions

What is the IUPAC name of ethane;2-(1-phenylethyl)pyridine?
The IUPAC name of ethane;2-(1-phenylethyl)pyridine (CID 143899083) is ethane;2-(1-phenylethyl)pyridine.
What is the SMILES notation for ethane;2-(1-phenylethyl)pyridine?
The canonical SMILES for ethane;2-(1-phenylethyl)pyridine is CC.CC.CC(c1ccccc1)c1ccccn1.
What is the InChIKey of ethane;2-(1-phenylethyl)pyridine?
The InChIKey is CEGGRKRIQYEFGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N.2C2H6/c1-11(12-7-3-2-4-8-12)13-9-5-6-10-14-13;2*1-2/h2-11H,1H3;2*1-2H3.
What are the key properties of ethane;2-(1-phenylethyl)pyridine?
ethane;2-(1-phenylethyl)pyridine has a molecular weight of 243.39 g/mol, XLogP of 5.29, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-(1-phenylethyl)pyridine is sourced from PubChem (CID 143899083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).