4-[2-(3,3-dimethyl-4H-isoquinolin-1-yl)ethyl]morpholine

C17H24N2O — CID 3079742

IUPAC4-[2-(3,3-dimethyl-4H-isoquinolin-1-yl)ethyl]morpholine
SMILESCC1(C)Cc2ccccc2C(CCN2CCOCC2)=N1
InChIInChI=1S/C17H24N2O/c1-17(2)13-14-5-3-4-6-15(14)16(18-17)7-8-19-9-11-20-12-10-19/h3-6H,7-13H2,1-2H3
InChIKeyUFFBANIKBVWTQU-UHFFFAOYSA-N
MW272.39 g/mol
LogP2.53
Rot. Bonds3

About 4-[2-(3,3-dimethyl-4H-isoquinolin-1-yl)ethyl]morpholine

4-[2-(3,3-dimethyl-4H-isoquinolin-1-yl)ethyl]morpholine (PubChem CID 3079742) has the molecular formula C17H24N2O and a molecular weight of 272.39 g/mol. Its IUPAC name is 4-[2-(3,3-dimethyl-4H-isoquinolin-1-yl)ethyl]morpholine.

Molecular Properties

Compound Name4-[2-(3,3-dimethyl-4H-isoquinolin-1-yl)ethyl]morpholine
PubChem CID3079742
Molecular FormulaC17H24N2O
Molecular Weight272.39 g/mol
Exact Mass272.19
IUPAC Name4-[2-(3,3-dimethyl-4H-isoquinolin-1-yl)ethyl]morpholine
SMILESCC1(C)Cc2ccccc2C(CCN2CCOCC2)=N1
InChIInChI=1S/C17H24N2O/c1-17(2)13-14-5-3-4-6-15(14)16(18-17)7-8-19-9-11-20-12-10-19/h3-6H,7-13H2,1-2H3
InChIKeyUFFBANIKBVWTQU-UHFFFAOYSA-N
XLogP2.53
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(3,3-dimethyl-4H-isoquinolin-1-yl)ethyl]morpholine?
The IUPAC name of 4-[2-(3,3-dimethyl-4H-isoquinolin-1-yl)ethyl]morpholine (CID 3079742) is 4-[2-(3,3-dimethyl-4H-isoquinolin-1-yl)ethyl]morpholine.
What is the SMILES notation for 4-[2-(3,3-dimethyl-4H-isoquinolin-1-yl)ethyl]morpholine?
The canonical SMILES for 4-[2-(3,3-dimethyl-4H-isoquinolin-1-yl)ethyl]morpholine is CC1(C)Cc2ccccc2C(CCN2CCOCC2)=N1.
What is the InChIKey of 4-[2-(3,3-dimethyl-4H-isoquinolin-1-yl)ethyl]morpholine?
The InChIKey is UFFBANIKBVWTQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O/c1-17(2)13-14-5-3-4-6-15(14)16(18-17)7-8-19-9-11-20-12-10-19/h3-6H,7-13H2,1-2H3.
What are the key properties of 4-[2-(3,3-dimethyl-4H-isoquinolin-1-yl)ethyl]morpholine?
4-[2-(3,3-dimethyl-4H-isoquinolin-1-yl)ethyl]morpholine has a molecular weight of 272.39 g/mol, XLogP of 2.53, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3,3-dimethyl-4H-isoquinolin-1-yl)ethyl]morpholine is sourced from PubChem (CID 3079742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).