N-(3-methoxyphenyl)-1,10-phenanthrolin-2-amine

C19H15N3O — CID 132850507

IUPACN-(3-methoxyphenyl)-1,10-phenanthrolin-2-amine
SMILESCOc1cccc(Nc2ccc3ccc4cccnc4c3n2)c1
InChIInChI=1S/C19H15N3O/c1-23-16-6-2-5-15(12-16)21-17-10-9-14-8-7-13-4-3-11-20-18(13)19(14)22-17/h2-12H,1H3,(H,21,22)
InChIKeyPKCXKTXSNVGGGQ-UHFFFAOYSA-N
MW301.35 g/mol
LogP4.54
Rot. Bonds3

About N-(3-methoxyphenyl)-1,10-phenanthrolin-2-amine

N-(3-methoxyphenyl)-1,10-phenanthrolin-2-amine (PubChem CID 132850507) has the molecular formula C19H15N3O and a molecular weight of 301.35 g/mol. Its IUPAC name is N-(3-methoxyphenyl)-1,10-phenanthrolin-2-amine.

Molecular Properties

Compound NameN-(3-methoxyphenyl)-1,10-phenanthrolin-2-amine
PubChem CID132850507
Molecular FormulaC19H15N3O
Molecular Weight301.35 g/mol
Exact Mass301.12
IUPAC NameN-(3-methoxyphenyl)-1,10-phenanthrolin-2-amine
SMILESCOc1cccc(Nc2ccc3ccc4cccnc4c3n2)c1
InChIInChI=1S/C19H15N3O/c1-23-16-6-2-5-15(12-16)21-17-10-9-14-8-7-13-4-3-11-20-18(13)19(14)22-17/h2-12H,1H3,(H,21,22)
InChIKeyPKCXKTXSNVGGGQ-UHFFFAOYSA-N
XLogP4.54
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-(3-methoxyphenyl)-1,10-phenanthrolin-2-amine?
The IUPAC name of N-(3-methoxyphenyl)-1,10-phenanthrolin-2-amine (CID 132850507) is N-(3-methoxyphenyl)-1,10-phenanthrolin-2-amine.
What is the SMILES notation for N-(3-methoxyphenyl)-1,10-phenanthrolin-2-amine?
The canonical SMILES for N-(3-methoxyphenyl)-1,10-phenanthrolin-2-amine is COc1cccc(Nc2ccc3ccc4cccnc4c3n2)c1.
What is the InChIKey of N-(3-methoxyphenyl)-1,10-phenanthrolin-2-amine?
The InChIKey is PKCXKTXSNVGGGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3O/c1-23-16-6-2-5-15(12-16)21-17-10-9-14-8-7-13-4-3-11-20-18(13)19(14)22-17/h2-12H,1H3,(H,21,22).
What are the key properties of N-(3-methoxyphenyl)-1,10-phenanthrolin-2-amine?
N-(3-methoxyphenyl)-1,10-phenanthrolin-2-amine has a molecular weight of 301.35 g/mol, XLogP of 4.54, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxyphenyl)-1,10-phenanthrolin-2-amine is sourced from PubChem (CID 132850507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).