1-(4-methylphenyl)-N-(1,2,3,4-tetrahydroisoquinolin-3-ylmethyl)methanimine

C18H20N2 — CID 11086653

IUPAC1-(4-methylphenyl)-N-(1,2,3,4-tetrahydroisoquinolin-3-ylmethyl)methanimine
SMILESCc1ccc(/C=N/CC2Cc3ccccc3CN2)cc1
InChIInChI=1S/C18H20N2/c1-14-6-8-15(9-7-14)11-19-13-18-10-16-4-2-3-5-17(16)12-20-18/h2-9,11,18,20H,10,12-13H2,1H3/b19-11+
InChIKeyJEHORZPUVUVEIR-YBFXNURJSA-N
MW264.37 g/mol
LogP3.13
Rot. Bonds3

About 1-(4-methylphenyl)-N-(1,2,3,4-tetrahydroisoquinolin-3-ylmethyl)methanimine

1-(4-methylphenyl)-N-(1,2,3,4-tetrahydroisoquinolin-3-ylmethyl)methanimine (PubChem CID 11086653) has the molecular formula C18H20N2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 1-(4-methylphenyl)-N-(1,2,3,4-tetrahydroisoquinolin-3-ylmethyl)methanimine.

Molecular Properties

Compound Name1-(4-methylphenyl)-N-(1,2,3,4-tetrahydroisoquinolin-3-ylmethyl)methanimine
PubChem CID11086653
Molecular FormulaC18H20N2
Molecular Weight264.37 g/mol
Exact Mass264.16
IUPAC Name1-(4-methylphenyl)-N-(1,2,3,4-tetrahydroisoquinolin-3-ylmethyl)methanimine
SMILESCc1ccc(/C=N/CC2Cc3ccccc3CN2)cc1
InChIInChI=1S/C18H20N2/c1-14-6-8-15(9-7-14)11-19-13-18-10-16-4-2-3-5-17(16)12-20-18/h2-9,11,18,20H,10,12-13H2,1H3/b19-11+
InChIKeyJEHORZPUVUVEIR-YBFXNURJSA-N
XLogP3.13
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

(3R)-3-(2-methylpropyl)-1,2,3,4-tetrahydroisoquinoline
CID 59084899
3-[(4-methylphenoxy)methyl]-1,2,3,4-tetrahydroisoquinoline
CID 115104278
(3S)-3-[2-(1,2,3,4-tetrahydroisoquinolin-3-yl)ethyl]-1,2,3,4-tetrahydroisoquinoline
CID 67709513
[(3R)-1,2,3,4-tetrahydroisoquinolin-3-yl]methanamine;hydrochloride
CID 156592430
3-(bromomethyl)-1,2,3,4-tetrahydroisoquinoline
CID 71381550
(3S)-3-(methoxymethyl)-1,2,3,4-tetrahydroisoquinoline
CID 100971194
(3R)-3-(2,2-dimethylpropyl)-1,2,3,4-tetrahydroisoquinoline
CID 59639486
N-ethyl-N-(1,2,3,4-tetrahydroisoquinolin-3-ylmethyl)ethanamine
CID 10822718
3-(fluoromethyl)-6-methyl-1,2,3,4-tetrahydroisoquinoline
CID 84718259
N-(cyclohexylmethyl)-1-(4-methylphenyl)methanimine
CID 102444433
2-(4-methylphenyl)-1-(1,2,3,4-tetrahydroisoquinolin-3-yl)ethanone
CID 116549786
3-(2-methylpropyl)-7-phenyl-1,2,3,4-tetrahydroisoquinoline
CID 63489421

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)-N-(1,2,3,4-tetrahydroisoquinolin-3-ylmethyl)methanimine?
The IUPAC name of 1-(4-methylphenyl)-N-(1,2,3,4-tetrahydroisoquinolin-3-ylmethyl)methanimine (CID 11086653) is 1-(4-methylphenyl)-N-(1,2,3,4-tetrahydroisoquinolin-3-ylmethyl)methanimine.
What is the SMILES notation for 1-(4-methylphenyl)-N-(1,2,3,4-tetrahydroisoquinolin-3-ylmethyl)methanimine?
The canonical SMILES for 1-(4-methylphenyl)-N-(1,2,3,4-tetrahydroisoquinolin-3-ylmethyl)methanimine is Cc1ccc(/C=N/CC2Cc3ccccc3CN2)cc1.
What is the InChIKey of 1-(4-methylphenyl)-N-(1,2,3,4-tetrahydroisoquinolin-3-ylmethyl)methanimine?
The InChIKey is JEHORZPUVUVEIR-YBFXNURJSA-N. The full InChI is InChI=1S/C18H20N2/c1-14-6-8-15(9-7-14)11-19-13-18-10-16-4-2-3-5-17(16)12-20-18/h2-9,11,18,20H,10,12-13H2,1H3/b19-11+.
What are the key properties of 1-(4-methylphenyl)-N-(1,2,3,4-tetrahydroisoquinolin-3-ylmethyl)methanimine?
1-(4-methylphenyl)-N-(1,2,3,4-tetrahydroisoquinolin-3-ylmethyl)methanimine has a molecular weight of 264.37 g/mol, XLogP of 3.13, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)-N-(1,2,3,4-tetrahydroisoquinolin-3-ylmethyl)methanimine is sourced from PubChem (CID 11086653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).