3-(3-methylphenyl)-3,4-dihydroisoquinolin-1-amine

C16H16N2 — CID 18785891

IUPAC3-(3-methylphenyl)-3,4-dihydroisoquinolin-1-amine
SMILESCc1cccc(C2Cc3ccccc3C(N)=N2)c1
InChIInChI=1S/C16H16N2/c1-11-5-4-7-13(9-11)15-10-12-6-2-3-8-14(12)16(17)18-15/h2-9,15H,10H2,1H3,(H2,17,18)
InChIKeyQLTIDNDKPCSXEY-UHFFFAOYSA-N
MW236.32 g/mol
LogP3.00
Rot. Bonds1

About 3-(3-methylphenyl)-3,4-dihydroisoquinolin-1-amine

3-(3-methylphenyl)-3,4-dihydroisoquinolin-1-amine (PubChem CID 18785891) has the molecular formula C16H16N2 and a molecular weight of 236.32 g/mol. Its IUPAC name is 3-(3-methylphenyl)-3,4-dihydroisoquinolin-1-amine.

Molecular Properties

Compound Name3-(3-methylphenyl)-3,4-dihydroisoquinolin-1-amine
PubChem CID18785891
Molecular FormulaC16H16N2
Molecular Weight236.32 g/mol
Exact Mass236.13
IUPAC Name3-(3-methylphenyl)-3,4-dihydroisoquinolin-1-amine
SMILESCc1cccc(C2Cc3ccccc3C(N)=N2)c1
InChIInChI=1S/C16H16N2/c1-11-5-4-7-13(9-11)15-10-12-6-2-3-8-14(12)16(17)18-15/h2-9,15H,10H2,1H3,(H2,17,18)
InChIKeyQLTIDNDKPCSXEY-UHFFFAOYSA-N
XLogP3.00
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(3-methylphenyl)-3,4-dihydroisoquinolin-1-amine?
The IUPAC name of 3-(3-methylphenyl)-3,4-dihydroisoquinolin-1-amine (CID 18785891) is 3-(3-methylphenyl)-3,4-dihydroisoquinolin-1-amine.
What is the SMILES notation for 3-(3-methylphenyl)-3,4-dihydroisoquinolin-1-amine?
The canonical SMILES for 3-(3-methylphenyl)-3,4-dihydroisoquinolin-1-amine is Cc1cccc(C2Cc3ccccc3C(N)=N2)c1.
What is the InChIKey of 3-(3-methylphenyl)-3,4-dihydroisoquinolin-1-amine?
The InChIKey is QLTIDNDKPCSXEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2/c1-11-5-4-7-13(9-11)15-10-12-6-2-3-8-14(12)16(17)18-15/h2-9,15H,10H2,1H3,(H2,17,18).
What are the key properties of 3-(3-methylphenyl)-3,4-dihydroisoquinolin-1-amine?
3-(3-methylphenyl)-3,4-dihydroisoquinolin-1-amine has a molecular weight of 236.32 g/mol, XLogP of 3.00, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methylphenyl)-3,4-dihydroisoquinolin-1-amine is sourced from PubChem (CID 18785891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).