6-methoxy-N-[(2-methylphenyl)methyl]isoquinolin-1-amine

C18H18N2O — CID 106537699

IUPAC6-methoxy-N-[(2-methylphenyl)methyl]isoquinolin-1-amine
SMILESCOc1ccc2c(NCc3ccccc3C)nccc2c1
InChIInChI=1S/C18H18N2O/c1-13-5-3-4-6-15(13)12-20-18-17-8-7-16(21-2)11-14(17)9-10-19-18/h3-11H,12H2,1-2H3,(H,19,20)
InChIKeyMYVBLZVLYMABHX-UHFFFAOYSA-N
MW278.36 g/mol
LogP4.16
Rot. Bonds4

About 6-methoxy-N-[(2-methylphenyl)methyl]isoquinolin-1-amine

6-methoxy-N-[(2-methylphenyl)methyl]isoquinolin-1-amine (PubChem CID 106537699) has the molecular formula C18H18N2O and a molecular weight of 278.36 g/mol. Its IUPAC name is 6-methoxy-N-[(2-methylphenyl)methyl]isoquinolin-1-amine.

Molecular Properties

Compound Name6-methoxy-N-[(2-methylphenyl)methyl]isoquinolin-1-amine
PubChem CID106537699
Molecular FormulaC18H18N2O
Molecular Weight278.36 g/mol
Exact Mass278.14
IUPAC Name6-methoxy-N-[(2-methylphenyl)methyl]isoquinolin-1-amine
SMILESCOc1ccc2c(NCc3ccccc3C)nccc2c1
InChIInChI=1S/C18H18N2O/c1-13-5-3-4-6-15(13)12-20-18-17-8-7-16(21-2)11-14(17)9-10-19-18/h3-11H,12H2,1-2H3,(H,19,20)
InChIKeyMYVBLZVLYMABHX-UHFFFAOYSA-N
XLogP4.16
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[(6-methoxyisoquinolin-1-yl)amino]methyl]phenol
CID 106539936
6-methoxy-N-[(4-methyl-3-pyridinyl)methyl]isoquinolin-1-amine
CID 106540003
4-[[(6-methoxyisoquinolin-1-yl)amino]methyl]phenol
CID 106539932
N-(2-chloropropyl)-6-methoxyisoquinolin-1-amine
CID 106542661
6-methoxy-N-[(1-methylpyrazol-3-yl)methyl]isoquinolin-1-amine
CID 106539270
N-(2-ethylbutyl)-6-methoxyisoquinolin-1-amine
CID 106539875
N-(6-methoxyisoquinolin-1-yl)-N',N'-dimethylbutane-1,4-diamine
CID 106538289
1-N-(6-methoxyisoquinolin-1-yl)-3-methylbutane-1,2-diamine
CID 106540710
N-cyclopropyl-N'-(6-methoxyisoquinolin-1-yl)ethane-1,2-diamine
CID 106540512
N-[2-(2-chloroethoxy)ethyl]-6-methoxyisoquinolin-1-amine
CID 106542673
6-methoxy-N-(3-pyrazol-1-ylpropyl)isoquinolin-1-amine
CID 106539434
1-[(6-methoxyisoquinolin-1-yl)amino]-2-methylpentan-2-ol
CID 106290621

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-N-[(2-methylphenyl)methyl]isoquinolin-1-amine?
The IUPAC name of 6-methoxy-N-[(2-methylphenyl)methyl]isoquinolin-1-amine (CID 106537699) is 6-methoxy-N-[(2-methylphenyl)methyl]isoquinolin-1-amine.
What is the SMILES notation for 6-methoxy-N-[(2-methylphenyl)methyl]isoquinolin-1-amine?
The canonical SMILES for 6-methoxy-N-[(2-methylphenyl)methyl]isoquinolin-1-amine is COc1ccc2c(NCc3ccccc3C)nccc2c1.
What is the InChIKey of 6-methoxy-N-[(2-methylphenyl)methyl]isoquinolin-1-amine?
The InChIKey is MYVBLZVLYMABHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O/c1-13-5-3-4-6-15(13)12-20-18-17-8-7-16(21-2)11-14(17)9-10-19-18/h3-11H,12H2,1-2H3,(H,19,20).
What are the key properties of 6-methoxy-N-[(2-methylphenyl)methyl]isoquinolin-1-amine?
6-methoxy-N-[(2-methylphenyl)methyl]isoquinolin-1-amine has a molecular weight of 278.36 g/mol, XLogP of 4.16, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-N-[(2-methylphenyl)methyl]isoquinolin-1-amine is sourced from PubChem (CID 106537699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).