3-methyl-3,4-dihydroisoquinoline

C10H11N — CID 15254049

IUPAC3-methyl-3,4-dihydroisoquinoline
SMILESCC1Cc2ccccc2C=N1
InChIInChI=1S/C10H11N/c1-8-6-9-4-2-3-5-10(9)7-11-8/h2-5,7-8H,6H2,1H3
InChIKeyJATHXJMZMGXQFU-UHFFFAOYSA-N
MW145.20 g/mol
LogP2.05
Rot. Bonds

About 3-methyl-3,4-dihydroisoquinoline

3-methyl-3,4-dihydroisoquinoline (PubChem CID 15254049) has the molecular formula C10H11N and a molecular weight of 145.20 g/mol. Its IUPAC name is 3-methyl-3,4-dihydroisoquinoline.

Molecular Properties

Compound Name3-methyl-3,4-dihydroisoquinoline
PubChem CID15254049
Molecular FormulaC10H11N
Molecular Weight145.20 g/mol
Exact Mass145.09
IUPAC Name3-methyl-3,4-dihydroisoquinoline
SMILESCC1Cc2ccccc2C=N1
InChIInChI=1S/C10H11N/c1-8-6-9-4-2-3-5-10(9)7-11-8/h2-5,7-8H,6H2,1H3
InChIKeyJATHXJMZMGXQFU-UHFFFAOYSA-N
XLogP2.05
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.20
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-3,4-dihydroisoquinoline?
The IUPAC name of 3-methyl-3,4-dihydroisoquinoline (CID 15254049) is 3-methyl-3,4-dihydroisoquinoline.
What is the SMILES notation for 3-methyl-3,4-dihydroisoquinoline?
The canonical SMILES for 3-methyl-3,4-dihydroisoquinoline is CC1Cc2ccccc2C=N1.
What is the InChIKey of 3-methyl-3,4-dihydroisoquinoline?
The InChIKey is JATHXJMZMGXQFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N/c1-8-6-9-4-2-3-5-10(9)7-11-8/h2-5,7-8H,6H2,1H3.
What are the key properties of 3-methyl-3,4-dihydroisoquinoline?
3-methyl-3,4-dihydroisoquinoline has a molecular weight of 145.20 g/mol, XLogP of 2.05, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3,4-dihydroisoquinoline is sourced from PubChem (CID 15254049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).