1-(2-phenylpropan-2-yl)isoquinoline

C18H17N — CID 171356877

IUPAC1-(2-phenylpropan-2-yl)isoquinoline
SMILESCC(C)(c1ccccc1)c1nccc2ccccc12
InChIInChI=1S/C18H17N/c1-18(2,15-9-4-3-5-10-15)17-16-11-7-6-8-14(16)12-13-19-17/h3-13H,1-2H3
InChIKeyOZDHITITVZHRKV-UHFFFAOYSA-N
MW247.34 g/mol
LogP4.56
Rot. Bonds2

About 1-(2-phenylpropan-2-yl)isoquinoline

1-(2-phenylpropan-2-yl)isoquinoline (PubChem CID 171356877) has the molecular formula C18H17N and a molecular weight of 247.34 g/mol. Its IUPAC name is 1-(2-phenylpropan-2-yl)isoquinoline.

Molecular Properties

Compound Name1-(2-phenylpropan-2-yl)isoquinoline
PubChem CID171356877
Molecular FormulaC18H17N
Molecular Weight247.34 g/mol
Exact Mass247.14
IUPAC Name1-(2-phenylpropan-2-yl)isoquinoline
SMILESCC(C)(c1ccccc1)c1nccc2ccccc12
InChIInChI=1S/C18H17N/c1-18(2,15-9-4-3-5-10-15)17-16-11-7-6-8-14(16)12-13-19-17/h3-13H,1-2H3
InChIKeyOZDHITITVZHRKV-UHFFFAOYSA-N
XLogP4.56
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(2-phenylpropan-2-yl)isoquinoline?
The IUPAC name of 1-(2-phenylpropan-2-yl)isoquinoline (CID 171356877) is 1-(2-phenylpropan-2-yl)isoquinoline.
What is the SMILES notation for 1-(2-phenylpropan-2-yl)isoquinoline?
The canonical SMILES for 1-(2-phenylpropan-2-yl)isoquinoline is CC(C)(c1ccccc1)c1nccc2ccccc12.
What is the InChIKey of 1-(2-phenylpropan-2-yl)isoquinoline?
The InChIKey is OZDHITITVZHRKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N/c1-18(2,15-9-4-3-5-10-15)17-16-11-7-6-8-14(16)12-13-19-17/h3-13H,1-2H3.
What are the key properties of 1-(2-phenylpropan-2-yl)isoquinoline?
1-(2-phenylpropan-2-yl)isoquinoline has a molecular weight of 247.34 g/mol, XLogP of 4.56, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-phenylpropan-2-yl)isoquinoline is sourced from PubChem (CID 171356877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).