N-[(2-methoxyphenyl)methyl]isoquinolin-5-amine

C17H16N2O — CID 43229358

IUPACN-[(2-methoxyphenyl)methyl]isoquinolin-5-amine
SMILESCOc1ccccc1CNc1cccc2cnccc12
InChIInChI=1S/C17H16N2O/c1-20-17-8-3-2-5-14(17)12-19-16-7-4-6-13-11-18-10-9-15(13)16/h2-11,19H,12H2,1H3
InChIKeyMFCNEKPAKPOAEE-UHFFFAOYSA-N
MW264.33 g/mol
LogP3.86
Rot. Bonds4

About N-[(2-methoxyphenyl)methyl]isoquinolin-5-amine

N-[(2-methoxyphenyl)methyl]isoquinolin-5-amine (PubChem CID 43229358) has the molecular formula C17H16N2O and a molecular weight of 264.33 g/mol. Its IUPAC name is N-[(2-methoxyphenyl)methyl]isoquinolin-5-amine.

Molecular Properties

Compound NameN-[(2-methoxyphenyl)methyl]isoquinolin-5-amine
PubChem CID43229358
Molecular FormulaC17H16N2O
Molecular Weight264.33 g/mol
Exact Mass264.13
IUPAC NameN-[(2-methoxyphenyl)methyl]isoquinolin-5-amine
SMILESCOc1ccccc1CNc1cccc2cnccc12
InChIInChI=1S/C17H16N2O/c1-20-17-8-3-2-5-14(17)12-19-16-7-4-6-13-11-18-10-9-15(13)16/h2-11,19H,12H2,1H3
InChIKeyMFCNEKPAKPOAEE-UHFFFAOYSA-N
XLogP3.86
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxyphenyl)methyl]isoquinolin-5-amine?
The IUPAC name of N-[(2-methoxyphenyl)methyl]isoquinolin-5-amine (CID 43229358) is N-[(2-methoxyphenyl)methyl]isoquinolin-5-amine.
What is the SMILES notation for N-[(2-methoxyphenyl)methyl]isoquinolin-5-amine?
The canonical SMILES for N-[(2-methoxyphenyl)methyl]isoquinolin-5-amine is COc1ccccc1CNc1cccc2cnccc12.
What is the InChIKey of N-[(2-methoxyphenyl)methyl]isoquinolin-5-amine?
The InChIKey is MFCNEKPAKPOAEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O/c1-20-17-8-3-2-5-14(17)12-19-16-7-4-6-13-11-18-10-9-15(13)16/h2-11,19H,12H2,1H3.
What are the key properties of N-[(2-methoxyphenyl)methyl]isoquinolin-5-amine?
N-[(2-methoxyphenyl)methyl]isoquinolin-5-amine has a molecular weight of 264.33 g/mol, XLogP of 3.86, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxyphenyl)methyl]isoquinolin-5-amine is sourced from PubChem (CID 43229358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).