1-tert-butyl-6-methyl-1,2,3,4-tetrahydroisoquinoline;hydrochloride

C14H22ClN — CID 45158331

IUPAC1-tert-butyl-6-methyl-1,2,3,4-tetrahydroisoquinoline;hydrochloride
SMILESCc1ccc2c(c1)CCNC2C(C)(C)C.Cl
InChIInChI=1S/C14H21N.ClH/c1-10-5-6-12-11(9-10)7-8-15-13(12)14(2,3)4;/h5-6,9,13,15H,7-8H2,1-4H3;1H
InChIKeyHGGLFDNNJKBOCW-UHFFFAOYSA-N
MW239.79 g/mol
LogP3.65
Rot. Bonds

About 1-tert-butyl-6-methyl-1,2,3,4-tetrahydroisoquinoline;hydrochloride

1-tert-butyl-6-methyl-1,2,3,4-tetrahydroisoquinoline;hydrochloride (PubChem CID 45158331) has the molecular formula C14H22ClN and a molecular weight of 239.79 g/mol. Its IUPAC name is 1-tert-butyl-6-methyl-1,2,3,4-tetrahydroisoquinoline;hydrochloride.

Molecular Properties

Compound Name1-tert-butyl-6-methyl-1,2,3,4-tetrahydroisoquinoline;hydrochloride
PubChem CID45158331
Molecular FormulaC14H22ClN
Molecular Weight239.79 g/mol
Exact Mass239.14
IUPAC Name1-tert-butyl-6-methyl-1,2,3,4-tetrahydroisoquinoline;hydrochloride
SMILESCc1ccc2c(c1)CCNC2C(C)(C)C.Cl
InChIInChI=1S/C14H21N.ClH/c1-10-5-6-12-11(9-10)7-8-15-13(12)14(2,3)4;/h5-6,9,13,15H,7-8H2,1-4H3;1H
InChIKeyHGGLFDNNJKBOCW-UHFFFAOYSA-N
XLogP3.65
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.79
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-6-methyl-1,2,3,4-tetrahydroisoquinoline;hydrochloride?
The IUPAC name of 1-tert-butyl-6-methyl-1,2,3,4-tetrahydroisoquinoline;hydrochloride (CID 45158331) is 1-tert-butyl-6-methyl-1,2,3,4-tetrahydroisoquinoline;hydrochloride.
What is the SMILES notation for 1-tert-butyl-6-methyl-1,2,3,4-tetrahydroisoquinoline;hydrochloride?
The canonical SMILES for 1-tert-butyl-6-methyl-1,2,3,4-tetrahydroisoquinoline;hydrochloride is Cc1ccc2c(c1)CCNC2C(C)(C)C.Cl.
What is the InChIKey of 1-tert-butyl-6-methyl-1,2,3,4-tetrahydroisoquinoline;hydrochloride?
The InChIKey is HGGLFDNNJKBOCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N.ClH/c1-10-5-6-12-11(9-10)7-8-15-13(12)14(2,3)4;/h5-6,9,13,15H,7-8H2,1-4H3;1H.
What are the key properties of 1-tert-butyl-6-methyl-1,2,3,4-tetrahydroisoquinoline;hydrochloride?
1-tert-butyl-6-methyl-1,2,3,4-tetrahydroisoquinoline;hydrochloride has a molecular weight of 239.79 g/mol, XLogP of 3.65, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-6-methyl-1,2,3,4-tetrahydroisoquinoline;hydrochloride is sourced from PubChem (CID 45158331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).