N-methyl-N-phenanthren-9-ylisoquinolin-1-amine

C24H18N2 — CID 89072690

IUPACN-methyl-N-phenanthren-9-ylisoquinolin-1-amine
SMILESCN(c1nccc2ccccc12)c1cc2ccccc2c2ccccc12
InChIInChI=1S/C24H18N2/c1-26(24-20-11-5-2-8-17(20)14-15-25-24)23-16-18-9-3-4-10-19(18)21-12-6-7-13-22(21)23/h2-16H,1H3
InChIKeyFVQXTXXIYVATHB-UHFFFAOYSA-N
MW334.42 g/mol
LogP6.31
Rot. Bonds2

About N-methyl-N-phenanthren-9-ylisoquinolin-1-amine

N-methyl-N-phenanthren-9-ylisoquinolin-1-amine (PubChem CID 89072690) has the molecular formula C24H18N2 and a molecular weight of 334.42 g/mol. Its IUPAC name is N-methyl-N-phenanthren-9-ylisoquinolin-1-amine.

Molecular Properties

Compound NameN-methyl-N-phenanthren-9-ylisoquinolin-1-amine
PubChem CID89072690
Molecular FormulaC24H18N2
Molecular Weight334.42 g/mol
Exact Mass334.15
IUPAC NameN-methyl-N-phenanthren-9-ylisoquinolin-1-amine
SMILESCN(c1nccc2ccccc12)c1cc2ccccc2c2ccccc12
InChIInChI=1S/C24H18N2/c1-26(24-20-11-5-2-8-17(20)14-15-25-24)23-16-18-9-3-4-10-19(18)21-12-6-7-13-22(21)23/h2-16H,1H3
InChIKeyFVQXTXXIYVATHB-UHFFFAOYSA-N
XLogP6.31
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.42
LogP ≤ 56.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-phenanthren-9-ylisoquinolin-1-amine?
The IUPAC name of N-methyl-N-phenanthren-9-ylisoquinolin-1-amine (CID 89072690) is N-methyl-N-phenanthren-9-ylisoquinolin-1-amine.
What is the SMILES notation for N-methyl-N-phenanthren-9-ylisoquinolin-1-amine?
The canonical SMILES for N-methyl-N-phenanthren-9-ylisoquinolin-1-amine is CN(c1nccc2ccccc12)c1cc2ccccc2c2ccccc12.
What is the InChIKey of N-methyl-N-phenanthren-9-ylisoquinolin-1-amine?
The InChIKey is FVQXTXXIYVATHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18N2/c1-26(24-20-11-5-2-8-17(20)14-15-25-24)23-16-18-9-3-4-10-19(18)21-12-6-7-13-22(21)23/h2-16H,1H3.
What are the key properties of N-methyl-N-phenanthren-9-ylisoquinolin-1-amine?
N-methyl-N-phenanthren-9-ylisoquinolin-1-amine has a molecular weight of 334.42 g/mol, XLogP of 6.31, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-phenanthren-9-ylisoquinolin-1-amine is sourced from PubChem (CID 89072690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).