3-(4-methoxy-2-methylphenyl)-6-methylisoquinolin-1-amine

C18H18N2O — CID 24951690

IUPAC3-(4-methoxy-2-methylphenyl)-6-methylisoquinolin-1-amine
SMILESCOc1ccc(-c2cc3cc(C)ccc3c(N)n2)c(C)c1
InChIInChI=1S/C18H18N2O/c1-11-4-6-16-13(8-11)10-17(20-18(16)19)15-7-5-14(21-3)9-12(15)2/h4-10H,1-3H3,(H2,19,20)
InChIKeyYLHFZOGLSSMLNM-UHFFFAOYSA-N
MW278.36 g/mol
LogP4.11
Rot. Bonds2

About 3-(4-methoxy-2-methylphenyl)-6-methylisoquinolin-1-amine

3-(4-methoxy-2-methylphenyl)-6-methylisoquinolin-1-amine (PubChem CID 24951690) has the molecular formula C18H18N2O and a molecular weight of 278.36 g/mol. Its IUPAC name is 3-(4-methoxy-2-methylphenyl)-6-methylisoquinolin-1-amine.

Molecular Properties

Compound Name3-(4-methoxy-2-methylphenyl)-6-methylisoquinolin-1-amine
PubChem CID24951690
Molecular FormulaC18H18N2O
Molecular Weight278.36 g/mol
Exact Mass278.14
IUPAC Name3-(4-methoxy-2-methylphenyl)-6-methylisoquinolin-1-amine
SMILESCOc1ccc(-c2cc3cc(C)ccc3c(N)n2)c(C)c1
InChIInChI=1S/C18H18N2O/c1-11-4-6-16-13(8-11)10-17(20-18(16)19)15-7-5-14(21-3)9-12(15)2/h4-10H,1-3H3,(H2,19,20)
InChIKeyYLHFZOGLSSMLNM-UHFFFAOYSA-N
XLogP4.11
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxy-2-methylphenyl)-6-methylisoquinolin-1-amine?
The IUPAC name of 3-(4-methoxy-2-methylphenyl)-6-methylisoquinolin-1-amine (CID 24951690) is 3-(4-methoxy-2-methylphenyl)-6-methylisoquinolin-1-amine.
What is the SMILES notation for 3-(4-methoxy-2-methylphenyl)-6-methylisoquinolin-1-amine?
The canonical SMILES for 3-(4-methoxy-2-methylphenyl)-6-methylisoquinolin-1-amine is COc1ccc(-c2cc3cc(C)ccc3c(N)n2)c(C)c1.
What is the InChIKey of 3-(4-methoxy-2-methylphenyl)-6-methylisoquinolin-1-amine?
The InChIKey is YLHFZOGLSSMLNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O/c1-11-4-6-16-13(8-11)10-17(20-18(16)19)15-7-5-14(21-3)9-12(15)2/h4-10H,1-3H3,(H2,19,20).
What are the key properties of 3-(4-methoxy-2-methylphenyl)-6-methylisoquinolin-1-amine?
3-(4-methoxy-2-methylphenyl)-6-methylisoquinolin-1-amine has a molecular weight of 278.36 g/mol, XLogP of 4.11, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxy-2-methylphenyl)-6-methylisoquinolin-1-amine is sourced from PubChem (CID 24951690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).