3-(2-propan-2-yl-3,4-dihydro-1H-isoquinolin-6-yl)morpholine

C16H24N2O — CID 90722360

IUPAC3-(2-propan-2-yl-3,4-dihydro-1H-isoquinolin-6-yl)morpholine
SMILESCC(C)N1CCc2cc(C3COCCN3)ccc2C1
InChIInChI=1S/C16H24N2O/c1-12(2)18-7-5-13-9-14(3-4-15(13)10-18)16-11-19-8-6-17-16/h3-4,9,12,16-17H,5-8,10-11H2,1-2H3
InChIKeyCTVHNKPCJMZDPL-UHFFFAOYSA-N
MW260.38 g/mol
LogP2.11
Rot. Bonds2

About 3-(2-propan-2-yl-3,4-dihydro-1H-isoquinolin-6-yl)morpholine

3-(2-propan-2-yl-3,4-dihydro-1H-isoquinolin-6-yl)morpholine (PubChem CID 90722360) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is 3-(2-propan-2-yl-3,4-dihydro-1H-isoquinolin-6-yl)morpholine.

Molecular Properties

Compound Name3-(2-propan-2-yl-3,4-dihydro-1H-isoquinolin-6-yl)morpholine
PubChem CID90722360
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name3-(2-propan-2-yl-3,4-dihydro-1H-isoquinolin-6-yl)morpholine
SMILESCC(C)N1CCc2cc(C3COCCN3)ccc2C1
InChIInChI=1S/C16H24N2O/c1-12(2)18-7-5-13-9-14(3-4-15(13)10-18)16-11-19-8-6-17-16/h3-4,9,12,16-17H,5-8,10-11H2,1-2H3
InChIKeyCTVHNKPCJMZDPL-UHFFFAOYSA-N
XLogP2.11
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2-propan-2-yl-3,4-dihydro-1H-isoquinolin-6-yl)morpholine?
The IUPAC name of 3-(2-propan-2-yl-3,4-dihydro-1H-isoquinolin-6-yl)morpholine (CID 90722360) is 3-(2-propan-2-yl-3,4-dihydro-1H-isoquinolin-6-yl)morpholine.
What is the SMILES notation for 3-(2-propan-2-yl-3,4-dihydro-1H-isoquinolin-6-yl)morpholine?
The canonical SMILES for 3-(2-propan-2-yl-3,4-dihydro-1H-isoquinolin-6-yl)morpholine is CC(C)N1CCc2cc(C3COCCN3)ccc2C1.
What is the InChIKey of 3-(2-propan-2-yl-3,4-dihydro-1H-isoquinolin-6-yl)morpholine?
The InChIKey is CTVHNKPCJMZDPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-12(2)18-7-5-13-9-14(3-4-15(13)10-18)16-11-19-8-6-17-16/h3-4,9,12,16-17H,5-8,10-11H2,1-2H3.
What are the key properties of 3-(2-propan-2-yl-3,4-dihydro-1H-isoquinolin-6-yl)morpholine?
3-(2-propan-2-yl-3,4-dihydro-1H-isoquinolin-6-yl)morpholine has a molecular weight of 260.38 g/mol, XLogP of 2.11, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-propan-2-yl-3,4-dihydro-1H-isoquinolin-6-yl)morpholine is sourced from PubChem (CID 90722360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).