[2,5-di(propan-2-yl)-3,4-dihydro-1H-isoquinolin-8-yl]phosphane

C15H24NP — CID 170019446

IUPAC[2,5-di(propan-2-yl)-3,4-dihydro-1H-isoquinolin-8-yl]phosphane
SMILESCC(C)c1ccc(P)c2c1CCN(C(C)C)C2
InChIInChI=1S/C15H24NP/c1-10(2)12-5-6-15(17)14-9-16(11(3)4)8-7-13(12)14/h5-6,10-11H,7-9,17H2,1-4H3
InChIKeyHBJSZHIWJPDHQP-UHFFFAOYSA-N
MW249.34 g/mol
LogP3.08
Rot. Bonds2

About [2,5-di(propan-2-yl)-3,4-dihydro-1H-isoquinolin-8-yl]phosphane

[2,5-di(propan-2-yl)-3,4-dihydro-1H-isoquinolin-8-yl]phosphane (PubChem CID 170019446) has the molecular formula C15H24NP and a molecular weight of 249.34 g/mol. Its IUPAC name is [2,5-di(propan-2-yl)-3,4-dihydro-1H-isoquinolin-8-yl]phosphane.

Molecular Properties

Compound Name[2,5-di(propan-2-yl)-3,4-dihydro-1H-isoquinolin-8-yl]phosphane
PubChem CID170019446
Molecular FormulaC15H24NP
Molecular Weight249.34 g/mol
Exact Mass249.16
IUPAC Name[2,5-di(propan-2-yl)-3,4-dihydro-1H-isoquinolin-8-yl]phosphane
SMILESCC(C)c1ccc(P)c2c1CCN(C(C)C)C2
InChIInChI=1S/C15H24NP/c1-10(2)12-5-6-15(17)14-9-16(11(3)4)8-7-13(12)14/h5-6,10-11H,7-9,17H2,1-4H3
InChIKeyHBJSZHIWJPDHQP-UHFFFAOYSA-N
XLogP3.08
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.34
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [2,5-di(propan-2-yl)-3,4-dihydro-1H-isoquinolin-8-yl]phosphane?
The IUPAC name of [2,5-di(propan-2-yl)-3,4-dihydro-1H-isoquinolin-8-yl]phosphane (CID 170019446) is [2,5-di(propan-2-yl)-3,4-dihydro-1H-isoquinolin-8-yl]phosphane.
What is the SMILES notation for [2,5-di(propan-2-yl)-3,4-dihydro-1H-isoquinolin-8-yl]phosphane?
The canonical SMILES for [2,5-di(propan-2-yl)-3,4-dihydro-1H-isoquinolin-8-yl]phosphane is CC(C)c1ccc(P)c2c1CCN(C(C)C)C2.
What is the InChIKey of [2,5-di(propan-2-yl)-3,4-dihydro-1H-isoquinolin-8-yl]phosphane?
The InChIKey is HBJSZHIWJPDHQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24NP/c1-10(2)12-5-6-15(17)14-9-16(11(3)4)8-7-13(12)14/h5-6,10-11H,7-9,17H2,1-4H3.
What are the key properties of [2,5-di(propan-2-yl)-3,4-dihydro-1H-isoquinolin-8-yl]phosphane?
[2,5-di(propan-2-yl)-3,4-dihydro-1H-isoquinolin-8-yl]phosphane has a molecular weight of 249.34 g/mol, XLogP of 3.08, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2,5-di(propan-2-yl)-3,4-dihydro-1H-isoquinolin-8-yl]phosphane is sourced from PubChem (CID 170019446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).