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

C19H30N2O — CID 171575501

IUPAC4-[(7-tert-butyl-2-methyl-3,4-dihydro-1H-isoquinolin-5-yl)methyl]morpholine
SMILESCN1CCc2c(cc(C(C)(C)C)cc2CN2CCOCC2)C1
InChIInChI=1S/C19H30N2O/c1-19(2,3)17-11-15-13-20(4)6-5-18(15)16(12-17)14-21-7-9-22-10-8-21/h11-12H,5-10,13-14H2,1-4H3
InChIKeySSLGPEWPJJURAE-UHFFFAOYSA-N
MW302.46 g/mol
LogP2.80
Rot. Bonds2

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

4-[(7-tert-butyl-2-methyl-3,4-dihydro-1H-isoquinolin-5-yl)methyl]morpholine (PubChem CID 171575501) has the molecular formula C19H30N2O and a molecular weight of 302.46 g/mol. Its IUPAC name is 4-[(7-tert-butyl-2-methyl-3,4-dihydro-1H-isoquinolin-5-yl)methyl]morpholine.

Molecular Properties

Compound Name4-[(7-tert-butyl-2-methyl-3,4-dihydro-1H-isoquinolin-5-yl)methyl]morpholine
PubChem CID171575501
Molecular FormulaC19H30N2O
Molecular Weight302.46 g/mol
Exact Mass302.24
IUPAC Name4-[(7-tert-butyl-2-methyl-3,4-dihydro-1H-isoquinolin-5-yl)methyl]morpholine
SMILESCN1CCc2c(cc(C(C)(C)C)cc2CN2CCOCC2)C1
InChIInChI=1S/C19H30N2O/c1-19(2,3)17-11-15-13-20(4)6-5-18(15)16(12-17)14-21-7-9-22-10-8-21/h11-12H,5-10,13-14H2,1-4H3
InChIKeySSLGPEWPJJURAE-UHFFFAOYSA-N
XLogP2.80
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.46
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(7-tert-butyl-2-methyl-3,4-dihydro-1H-isoquinolin-5-yl)morpholine
CID 171575387
7-tert-butyl-5-ethyl-2-methyl-3,4-dihydro-1H-isoquinoline
CID 171575407
4-[(6-tert-butyl-3,4-dihydro-1H-isochromen-8-yl)methyl]morpholine
CID 171606507
7-tert-butyl-5-(methoxymethyl)-2-methyl-3,4-dihydro-1H-isoquinoline
CID 171575439
7-tert-butyl-2-methyl-5-(4-methylpiperazin-1-yl)-3,4-dihydro-1H-isoquinoline
CID 171575384
7-tert-butyl-2-methyl-5-prop-1-ynyl-3,4-dihydro-1H-isoquinoline
CID 171575502
7-tert-butyl-2-methyl-5-piperidin-1-yl-3,4-dihydro-1H-isoquinoline
CID 171575357
4-[(3,5-ditert-butylphenyl)methyl]morpholine
CID 59709271
4-[2-(7-tert-butyl-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]morpholine
CID 110456979
4-[(7-ethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)methyl]morpholine
CID 112721569
7-tert-butyl-2,5-diethyl-3,4-dihydro-1H-isoquinoline
CID 167248456
7-tert-butyl-2-methyl-5-prop-1-en-2-yl-3,4-dihydro-1H-isoquinoline
CID 171575416

Frequently Asked Questions

What is the IUPAC name of 4-[(7-tert-butyl-2-methyl-3,4-dihydro-1H-isoquinolin-5-yl)methyl]morpholine?
The IUPAC name of 4-[(7-tert-butyl-2-methyl-3,4-dihydro-1H-isoquinolin-5-yl)methyl]morpholine (CID 171575501) is 4-[(7-tert-butyl-2-methyl-3,4-dihydro-1H-isoquinolin-5-yl)methyl]morpholine.
What is the SMILES notation for 4-[(7-tert-butyl-2-methyl-3,4-dihydro-1H-isoquinolin-5-yl)methyl]morpholine?
The canonical SMILES for 4-[(7-tert-butyl-2-methyl-3,4-dihydro-1H-isoquinolin-5-yl)methyl]morpholine is CN1CCc2c(cc(C(C)(C)C)cc2CN2CCOCC2)C1.
What is the InChIKey of 4-[(7-tert-butyl-2-methyl-3,4-dihydro-1H-isoquinolin-5-yl)methyl]morpholine?
The InChIKey is SSLGPEWPJJURAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O/c1-19(2,3)17-11-15-13-20(4)6-5-18(15)16(12-17)14-21-7-9-22-10-8-21/h11-12H,5-10,13-14H2,1-4H3.
What are the key properties of 4-[(7-tert-butyl-2-methyl-3,4-dihydro-1H-isoquinolin-5-yl)methyl]morpholine?
4-[(7-tert-butyl-2-methyl-3,4-dihydro-1H-isoquinolin-5-yl)methyl]morpholine has a molecular weight of 302.46 g/mol, XLogP of 2.80, 2 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)methyl]morpholine is sourced from PubChem (CID 171575501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).