4-(7-tert-butyl-2-methyl-3,4-dihydro-1H-isoquinolin-5-yl)morpholine

C18H28N2O — CID 171575387

IUPAC4-(7-tert-butyl-2-methyl-3,4-dihydro-1H-isoquinolin-5-yl)morpholine
SMILESCN1CCc2c(cc(C(C)(C)C)cc2N2CCOCC2)C1
InChIInChI=1S/C18H28N2O/c1-18(2,3)15-11-14-13-19(4)6-5-16(14)17(12-15)20-7-9-21-10-8-20/h11-12H,5-10,13H2,1-4H3
InChIKeyGBPWDODCGRSIJV-UHFFFAOYSA-N
MW288.44 g/mol
LogP2.81
Rot. Bonds1

About 4-(7-tert-butyl-2-methyl-3,4-dihydro-1H-isoquinolin-5-yl)morpholine

4-(7-tert-butyl-2-methyl-3,4-dihydro-1H-isoquinolin-5-yl)morpholine (PubChem CID 171575387) has the molecular formula C18H28N2O and a molecular weight of 288.44 g/mol. Its IUPAC name is 4-(7-tert-butyl-2-methyl-3,4-dihydro-1H-isoquinolin-5-yl)morpholine.

Molecular Properties

Compound Name4-(7-tert-butyl-2-methyl-3,4-dihydro-1H-isoquinolin-5-yl)morpholine
PubChem CID171575387
Molecular FormulaC18H28N2O
Molecular Weight288.44 g/mol
Exact Mass288.22
IUPAC Name4-(7-tert-butyl-2-methyl-3,4-dihydro-1H-isoquinolin-5-yl)morpholine
SMILESCN1CCc2c(cc(C(C)(C)C)cc2N2CCOCC2)C1
InChIInChI=1S/C18H28N2O/c1-18(2,3)15-11-14-13-19(4)6-5-16(14)17(12-15)20-7-9-21-10-8-20/h11-12H,5-10,13H2,1-4H3
InChIKeyGBPWDODCGRSIJV-UHFFFAOYSA-N
XLogP2.81
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-(7-tert-butyl-2-methyl-3,4-dihydro-1H-isoquinolin-5-yl)morpholine with MolForge

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Related Compounds

7-tert-butyl-2-methyl-5-(4-methylpiperazin-1-yl)-3,4-dihydro-1H-isoquinoline
CID 171575384
7-tert-butyl-2-methyl-5-piperidin-1-yl-3,4-dihydro-1H-isoquinoline
CID 171575357
4-[(7-tert-butyl-2-methyl-3,4-dihydro-1H-isoquinolin-5-yl)methyl]morpholine
CID 171575501
7-tert-butyl-5-ethyl-2-methyl-3,4-dihydro-1H-isoquinoline
CID 171575407
7-tert-butyl-2-methyl-5-prop-1-ynyl-3,4-dihydro-1H-isoquinoline
CID 171575502
7-tert-butyl-5-(methoxymethyl)-2-methyl-3,4-dihydro-1H-isoquinoline
CID 171575439
7-tert-butyl-2-methyl-5-prop-1-en-2-yl-3,4-dihydro-1H-isoquinoline
CID 171575416
4-(5-tert-butyl-2-propan-2-ylphenyl)morpholine
CID 176746640
4-[2-(7-tert-butyl-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]morpholine
CID 110456979
4-(2,4-ditert-butylphenyl)morpholine
CID 59709213
13,27-ditert-butyl-3,6,9,17,20,23-hexamethyl-3,6,9,17,20,23-hexazatricyclo[23.3.1.111,15]triaconta-1(28),11,13,15(30),25(29),26-hexaene-29,30-dithiolate;hydrazine;nickel
CID 6418971
4-[4-tert-butyl-2-(trifluoromethyl)phenyl]morpholine
CID 58525019

Frequently Asked Questions

What is the IUPAC name of 4-(7-tert-butyl-2-methyl-3,4-dihydro-1H-isoquinolin-5-yl)morpholine?
The IUPAC name of 4-(7-tert-butyl-2-methyl-3,4-dihydro-1H-isoquinolin-5-yl)morpholine (CID 171575387) is 4-(7-tert-butyl-2-methyl-3,4-dihydro-1H-isoquinolin-5-yl)morpholine.
What is the SMILES notation for 4-(7-tert-butyl-2-methyl-3,4-dihydro-1H-isoquinolin-5-yl)morpholine?
The canonical SMILES for 4-(7-tert-butyl-2-methyl-3,4-dihydro-1H-isoquinolin-5-yl)morpholine is CN1CCc2c(cc(C(C)(C)C)cc2N2CCOCC2)C1.
What is the InChIKey of 4-(7-tert-butyl-2-methyl-3,4-dihydro-1H-isoquinolin-5-yl)morpholine?
The InChIKey is GBPWDODCGRSIJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-18(2,3)15-11-14-13-19(4)6-5-16(14)17(12-15)20-7-9-21-10-8-20/h11-12H,5-10,13H2,1-4H3.
What are the key properties of 4-(7-tert-butyl-2-methyl-3,4-dihydro-1H-isoquinolin-5-yl)morpholine?
4-(7-tert-butyl-2-methyl-3,4-dihydro-1H-isoquinolin-5-yl)morpholine has a molecular weight of 288.44 g/mol, XLogP of 2.81, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(7-tert-butyl-2-methyl-3,4-dihydro-1H-isoquinolin-5-yl)morpholine is sourced from PubChem (CID 171575387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).