1-(3-methylphenyl)-7,8-dihydroisoquinoline

C16H15N — CID 71147862

IUPAC1-(3-methylphenyl)-7,8-dihydroisoquinoline
SMILESCc1cccc(-c2nccc3c2CCC=C3)c1
InChIInChI=1S/C16H15N/c1-12-5-4-7-14(11-12)16-15-8-3-2-6-13(15)9-10-17-16/h2,4-7,9-11H,3,8H2,1H3
InChIKeyPSGTTYJZZGKZNC-UHFFFAOYSA-N
MW221.30 g/mol
LogP4.02
Rot. Bonds1

About 1-(3-methylphenyl)-7,8-dihydroisoquinoline

1-(3-methylphenyl)-7,8-dihydroisoquinoline (PubChem CID 71147862) has the molecular formula C16H15N and a molecular weight of 221.30 g/mol. Its IUPAC name is 1-(3-methylphenyl)-7,8-dihydroisoquinoline.

Molecular Properties

Compound Name1-(3-methylphenyl)-7,8-dihydroisoquinoline
PubChem CID71147862
Molecular FormulaC16H15N
Molecular Weight221.30 g/mol
Exact Mass221.12
IUPAC Name1-(3-methylphenyl)-7,8-dihydroisoquinoline
SMILESCc1cccc(-c2nccc3c2CCC=C3)c1
InChIInChI=1S/C16H15N/c1-12-5-4-7-14(11-12)16-15-8-3-2-6-13(15)9-10-17-16/h2,4-7,9-11H,3,8H2,1H3
InChIKeyPSGTTYJZZGKZNC-UHFFFAOYSA-N
XLogP4.02
TPSA12.89 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 ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(+-)-Chlorpheniramine
CID 2725
Triprolidine
CID 5282443
Brompheniramine
CID 6834
(+-)-Dimethindene
CID 21855
Dexchlorpheniramine
CID 33036
Quinoline
CID 7047
Pheniramine
CID 4761
Prothionamide
CID 666418
6-Methylquinoline
CID 7059
5,5'-Dimethyl-2,2'-bipyridyl
CID 15664
Myosmine
CID 442649
Dexbrompheniramine
CID 16960

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylphenyl)-7,8-dihydroisoquinoline?
The IUPAC name of 1-(3-methylphenyl)-7,8-dihydroisoquinoline (CID 71147862) is 1-(3-methylphenyl)-7,8-dihydroisoquinoline.
What is the SMILES notation for 1-(3-methylphenyl)-7,8-dihydroisoquinoline?
The canonical SMILES for 1-(3-methylphenyl)-7,8-dihydroisoquinoline is Cc1cccc(-c2nccc3c2CCC=C3)c1.
What is the InChIKey of 1-(3-methylphenyl)-7,8-dihydroisoquinoline?
The InChIKey is PSGTTYJZZGKZNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N/c1-12-5-4-7-14(11-12)16-15-8-3-2-6-13(15)9-10-17-16/h2,4-7,9-11H,3,8H2,1H3.
What are the key properties of 1-(3-methylphenyl)-7,8-dihydroisoquinoline?
1-(3-methylphenyl)-7,8-dihydroisoquinoline has a molecular weight of 221.30 g/mol, XLogP of 4.02, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylphenyl)-7,8-dihydroisoquinoline is sourced from PubChem (CID 71147862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).