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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Related Compounds

4-spiro[4H-isoquinoline-3,1'-cyclopentane]-1-ylmorpholine
CID 818746
1-morpholino-2-(4'H-spiro[cyclopentane-1,3'-isoquinolin]-1'-yl)ethanone hydrochloride
CID 6603210
N-(4,4-Diphenyl-6-morpholino-3-hexylidene)acetamide
CID 48097
6-(Morpholin-4-yl)-4,4-diphenylhexan-3-imine
CID 3050616
Isoquinoline, 3,4-dihydro-7-methyl-3-(4-morpholinylmethyl)-1-phenyl-, dihydrochloride
CID 3068685
Ethanamine, N,N-diethyl-2-(2-(3,4-dihydro-3,3-dimethyl-1-isoquinolinyl)ethoxy)-, dihydrochloride
CID 3079737
Isoquinoline, 3,4-dihydro-3,3-dimethyl-1-(2-(4-morpholinyl)ethyl)-, dihydrochloride
CID 3079741
Isoquinoline, 3,4-dihydro-3,3-dimethyl-1-(2-(1-piperidinyl)ethyl)-, dihydrochloride
CID 3079743
2-(3,3-Diethyl-3,4-dihydroisoquinolin-1-yl)-1-(morpholin-4-yl)ethanone
CID 672430
(NZ)-N-[[3-(2-morpholin-4-ylethyl)phenyl]-phenylmethylidene]hydroxylamine
CID 20480068
N-(2-morpholin-4-ylethyl)tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaen-2-imine
CID 44342629
4-(3,3-diethyl-4H-isoquinolin-1-yl)morpholine
CID 676171

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).