1-(4-methylphenyl)-3,4-dihydroisoquinoline

C16H15N — CID 11807349

IUPAC1-(4-methylphenyl)-3,4-dihydroisoquinoline
SMILESCc1ccc(C2=NCCc3ccccc32)cc1
InChIInChI=1S/C16H15N/c1-12-6-8-14(9-7-12)16-15-5-3-2-4-13(15)10-11-17-16/h2-9H,10-11H2,1H3
InChIKeyXQROEYGMOBUPJP-UHFFFAOYSA-N
MW221.30 g/mol
LogP3.39
Rot. Bonds1

About 1-(4-methylphenyl)-3,4-dihydroisoquinoline

1-(4-methylphenyl)-3,4-dihydroisoquinoline (PubChem CID 11807349) has the molecular formula C16H15N and a molecular weight of 221.30 g/mol. Its IUPAC name is 1-(4-methylphenyl)-3,4-dihydroisoquinoline.

Molecular Properties

Compound Name1-(4-methylphenyl)-3,4-dihydroisoquinoline
PubChem CID11807349
Molecular FormulaC16H15N
Molecular Weight221.30 g/mol
Exact Mass221.12
IUPAC Name1-(4-methylphenyl)-3,4-dihydroisoquinoline
SMILESCc1ccc(C2=NCCc3ccccc32)cc1
InChIInChI=1S/C16H15N/c1-12-6-8-14(9-7-12)16-15-5-3-2-4-13(15)10-11-17-16/h2-9H,10-11H2,1H3
InChIKeyXQROEYGMOBUPJP-UHFFFAOYSA-N
XLogP3.39
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3,4-Dihydro-1-(phenylmethyl)isoquinoline
CID 32719
3,4-Dihydroisoquinoline
CID 76705
1-Phenyl-3,4-dihydroisoquinoline
CID 609926
1-Methyl-3,4-dihydroisoquinoline
CID 231502
2,3-Dihydro-5,6-Diphenylpyrazine
CID 256218
1-Benzyl-3,4-dihydroisoquinoline hydrochloride
CID 45048805
1,3,3,6,7-Pentamethyl-3,4-dihydroisoquinoline hydrochloride
CID 16192861
3-Methyl-1-phenethyl-3,4-dihydroisoquinoline hydrochloride
CID 24747746
Pyrazine, 2,3-dihydro-5,6-diphenyl-2-methyl-
CID 98291
1-Phenyl-3,4-dihydroisoquinoline hydrochloride
CID 12220823
Benzhydrylidene methylamine
CID 576539
1,3,3-Trimethyl-3,4-dihydroisoquinoline
CID 594161

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)-3,4-dihydroisoquinoline?
The IUPAC name of 1-(4-methylphenyl)-3,4-dihydroisoquinoline (CID 11807349) is 1-(4-methylphenyl)-3,4-dihydroisoquinoline.
What is the SMILES notation for 1-(4-methylphenyl)-3,4-dihydroisoquinoline?
The canonical SMILES for 1-(4-methylphenyl)-3,4-dihydroisoquinoline is Cc1ccc(C2=NCCc3ccccc32)cc1.
What is the InChIKey of 1-(4-methylphenyl)-3,4-dihydroisoquinoline?
The InChIKey is XQROEYGMOBUPJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N/c1-12-6-8-14(9-7-12)16-15-5-3-2-4-13(15)10-11-17-16/h2-9H,10-11H2,1H3.
What are the key properties of 1-(4-methylphenyl)-3,4-dihydroisoquinoline?
1-(4-methylphenyl)-3,4-dihydroisoquinoline has a molecular weight of 221.30 g/mol, XLogP of 3.39, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)-3,4-dihydroisoquinoline is sourced from PubChem (CID 11807349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).