1-[4-methyl-3-(3-methylisoquinolin-7-yl)phenyl]ethenamine

C19H18N2 — CID 129169955

IUPAC1-[4-methyl-3-(3-methylisoquinolin-7-yl)phenyl]ethenamine
SMILESC=C(N)c1ccc(C)c(-c2ccc3cc(C)ncc3c2)c1
InChIInChI=1S/C19H18N2/c1-12-4-5-15(14(3)20)10-19(12)17-7-6-16-8-13(2)21-11-18(16)9-17/h4-11H,3,20H2,1-2H3
InChIKeyHCKGMYNRZUUJQG-UHFFFAOYSA-N
MW274.37 g/mol
LogP4.45
Rot. Bonds2

About 1-[4-methyl-3-(3-methylisoquinolin-7-yl)phenyl]ethenamine

1-[4-methyl-3-(3-methylisoquinolin-7-yl)phenyl]ethenamine (PubChem CID 129169955) has the molecular formula C19H18N2 and a molecular weight of 274.37 g/mol. Its IUPAC name is 1-[4-methyl-3-(3-methylisoquinolin-7-yl)phenyl]ethenamine.

Molecular Properties

Compound Name1-[4-methyl-3-(3-methylisoquinolin-7-yl)phenyl]ethenamine
PubChem CID129169955
Molecular FormulaC19H18N2
Molecular Weight274.37 g/mol
Exact Mass274.15
IUPAC Name1-[4-methyl-3-(3-methylisoquinolin-7-yl)phenyl]ethenamine
SMILESC=C(N)c1ccc(C)c(-c2ccc3cc(C)ncc3c2)c1
InChIInChI=1S/C19H18N2/c1-12-4-5-15(14(3)20)10-19(12)17-7-6-16-8-13(2)21-11-18(16)9-17/h4-11H,3,20H2,1-2H3
InChIKeyHCKGMYNRZUUJQG-UHFFFAOYSA-N
XLogP4.45
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[4-methyl-3-(3-methylisoquinolin-7-yl)phenyl]ethenamine?
The IUPAC name of 1-[4-methyl-3-(3-methylisoquinolin-7-yl)phenyl]ethenamine (CID 129169955) is 1-[4-methyl-3-(3-methylisoquinolin-7-yl)phenyl]ethenamine.
What is the SMILES notation for 1-[4-methyl-3-(3-methylisoquinolin-7-yl)phenyl]ethenamine?
The canonical SMILES for 1-[4-methyl-3-(3-methylisoquinolin-7-yl)phenyl]ethenamine is C=C(N)c1ccc(C)c(-c2ccc3cc(C)ncc3c2)c1.
What is the InChIKey of 1-[4-methyl-3-(3-methylisoquinolin-7-yl)phenyl]ethenamine?
The InChIKey is HCKGMYNRZUUJQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2/c1-12-4-5-15(14(3)20)10-19(12)17-7-6-16-8-13(2)21-11-18(16)9-17/h4-11H,3,20H2,1-2H3.
What are the key properties of 1-[4-methyl-3-(3-methylisoquinolin-7-yl)phenyl]ethenamine?
1-[4-methyl-3-(3-methylisoquinolin-7-yl)phenyl]ethenamine has a molecular weight of 274.37 g/mol, XLogP of 4.45, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-methyl-3-(3-methylisoquinolin-7-yl)phenyl]ethenamine is sourced from PubChem (CID 129169955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).