4-[2-(7-tert-butyl-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]morpholine

C19H30N2O — CID 110456979

IUPAC4-[2-(7-tert-butyl-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]morpholine
SMILESCC(C)(C)c1ccc2c(c1)CN(CCN1CCOCC1)CC2
InChIInChI=1S/C19H30N2O/c1-19(2,3)18-5-4-16-6-7-21(15-17(16)14-18)9-8-20-10-12-22-13-11-20/h4-5,14H,6-13,15H2,1-3H3
InChIKeyLXOSDZFRASNGDP-UHFFFAOYSA-N
MW302.46 g/mol
LogP2.67
Rot. Bonds3

About 4-[2-(7-tert-butyl-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]morpholine

4-[2-(7-tert-butyl-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]morpholine (PubChem CID 110456979) has the molecular formula C19H30N2O and a molecular weight of 302.46 g/mol. Its IUPAC name is 4-[2-(7-tert-butyl-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]morpholine.

Molecular Properties

Compound Name4-[2-(7-tert-butyl-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]morpholine
PubChem CID110456979
Molecular FormulaC19H30N2O
Molecular Weight302.46 g/mol
Exact Mass302.24
IUPAC Name4-[2-(7-tert-butyl-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]morpholine
SMILESCC(C)(C)c1ccc2c(c1)CN(CCN1CCOCC1)CC2
InChIInChI=1S/C19H30N2O/c1-19(2,3)18-5-4-16-6-7-21(15-17(16)14-18)9-8-20-10-12-22-13-11-20/h4-5,14H,6-13,15H2,1-3H3
InChIKeyLXOSDZFRASNGDP-UHFFFAOYSA-N
XLogP2.67
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.46
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-[2-(7-tert-butyl-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]morpholine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[2-(7-methyl-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]morpholine
CID 59017452
4-[2-(7-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]morpholine
CID 110456823
1-(7-tert-butyl-3,4-dihydro-1H-isoquinolin-2-yl)propan-2-one
CID 90188718
[3-[(7-tert-butyl-3,4-dihydro-1H-isoquinolin-2-yl)methyl]oxetan-3-yl]methanol
CID 110028068
7-(3-morpholin-4-ylpropyl)-3,6,8,9-tetrahydro-2H-[1,4]dioxino[2,3-g]isoquinoline
CID 110457267
3-tert-butyl-N-(2-morpholin-4-ylethyl)aniline
CID 20619663
4-[2-[(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)oxy]ethyl]morpholine
CID 69000749
3-tert-butylbicyclo[4.2.0]octa-1(6),2,4-triene
CID 15438926
N-methyl-2-(2-morpholin-4-ylethyl)-1,3-dihydroisoindol-5-amine
CID 117006197
4-[(7-tert-butyl-2-methyl-3,4-dihydro-1H-isoquinolin-5-yl)methyl]morpholine
CID 171575501
4-[3-(4-tert-butyl-2-methylphenoxy)propyl]morpholine
CID 2582852
4-[2-(6-tert-butyl-2-methylbenzimidazol-1-yl)ethyl]morpholine
CID 138657131

Frequently Asked Questions

What is the IUPAC name of 4-[2-(7-tert-butyl-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]morpholine?
The IUPAC name of 4-[2-(7-tert-butyl-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]morpholine (CID 110456979) is 4-[2-(7-tert-butyl-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]morpholine.
What is the SMILES notation for 4-[2-(7-tert-butyl-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]morpholine?
The canonical SMILES for 4-[2-(7-tert-butyl-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]morpholine is CC(C)(C)c1ccc2c(c1)CN(CCN1CCOCC1)CC2.
What is the InChIKey of 4-[2-(7-tert-butyl-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]morpholine?
The InChIKey is LXOSDZFRASNGDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O/c1-19(2,3)18-5-4-16-6-7-21(15-17(16)14-18)9-8-20-10-12-22-13-11-20/h4-5,14H,6-13,15H2,1-3H3.
What are the key properties of 4-[2-(7-tert-butyl-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]morpholine?
4-[2-(7-tert-butyl-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]morpholine has a molecular weight of 302.46 g/mol, XLogP of 2.67, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(7-tert-butyl-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]morpholine is sourced from PubChem (CID 110456979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).