N-methyl-2-(1,10-phenanthrolin-2-yloxy)-N-phenylaniline

C25H19N3O — CID 166442530

IUPACN-methyl-2-(1,10-phenanthrolin-2-yloxy)-N-phenylaniline
SMILESCN(c1ccccc1)c1ccccc1Oc1ccc2ccc3cccnc3c2n1
InChIInChI=1S/C25H19N3O/c1-28(20-9-3-2-4-10-20)21-11-5-6-12-22(21)29-23-16-15-19-14-13-18-8-7-17-26-24(18)25(19)27-23/h2-17H,1H3
InChIKeyQKUFJJXEQQCPQQ-UHFFFAOYSA-N
MW377.45 g/mol
LogP6.34
Rot. Bonds4

About N-methyl-2-(1,10-phenanthrolin-2-yloxy)-N-phenylaniline

N-methyl-2-(1,10-phenanthrolin-2-yloxy)-N-phenylaniline (PubChem CID 166442530) has the molecular formula C25H19N3O and a molecular weight of 377.45 g/mol. Its IUPAC name is N-methyl-2-(1,10-phenanthrolin-2-yloxy)-N-phenylaniline.

Molecular Properties

Compound NameN-methyl-2-(1,10-phenanthrolin-2-yloxy)-N-phenylaniline
PubChem CID166442530
Molecular FormulaC25H19N3O
Molecular Weight377.45 g/mol
Exact Mass377.15
IUPAC NameN-methyl-2-(1,10-phenanthrolin-2-yloxy)-N-phenylaniline
SMILESCN(c1ccccc1)c1ccccc1Oc1ccc2ccc3cccnc3c2n1
InChIInChI=1S/C25H19N3O/c1-28(20-9-3-2-4-10-20)21-11-5-6-12-22(21)29-23-16-15-19-14-13-18-8-7-17-26-24(18)25(19)27-23/h2-17H,1H3
InChIKeyQKUFJJXEQQCPQQ-UHFFFAOYSA-N
XLogP6.34
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.45
LogP ≤ 56.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

bis(1,10-phenanthroline);ruthenium
CID 15001085
diiodo(dimethyl)stannane;1,10-phenanthroline
CID 4611650
bis(1,10-phenanthroline);dihydrobromide
CID 70430219
1,10-phenanthroline;samarium
CID 174616745
iridium(3+);1,10-phenanthroline
CID 175702049
osmium;tris(1,10-phenanthroline)
CID 14251798
CID 58385596
CID 58385596
europium;1,10-phenanthroline
CID 20606755
2-(2-methoxyphenyl)-1,10-phenanthroline;hydrochloride
CID 140537308
2-methoxy-6-quinolin-8-yloxypyridin-3-amine
CID 43262431
N-methyl-6-quinolin-8-yloxypyridin-2-amine
CID 80881760
2-[2-(1,10-phenanthrolin-2-yl)propan-2-yl]-1,10-phenanthroline
CID 139174668

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(1,10-phenanthrolin-2-yloxy)-N-phenylaniline?
The IUPAC name of N-methyl-2-(1,10-phenanthrolin-2-yloxy)-N-phenylaniline (CID 166442530) is N-methyl-2-(1,10-phenanthrolin-2-yloxy)-N-phenylaniline.
What is the SMILES notation for N-methyl-2-(1,10-phenanthrolin-2-yloxy)-N-phenylaniline?
The canonical SMILES for N-methyl-2-(1,10-phenanthrolin-2-yloxy)-N-phenylaniline is CN(c1ccccc1)c1ccccc1Oc1ccc2ccc3cccnc3c2n1.
What is the InChIKey of N-methyl-2-(1,10-phenanthrolin-2-yloxy)-N-phenylaniline?
The InChIKey is QKUFJJXEQQCPQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19N3O/c1-28(20-9-3-2-4-10-20)21-11-5-6-12-22(21)29-23-16-15-19-14-13-18-8-7-17-26-24(18)25(19)27-23/h2-17H,1H3.
What are the key properties of N-methyl-2-(1,10-phenanthrolin-2-yloxy)-N-phenylaniline?
N-methyl-2-(1,10-phenanthrolin-2-yloxy)-N-phenylaniline has a molecular weight of 377.45 g/mol, XLogP of 6.34, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(1,10-phenanthrolin-2-yloxy)-N-phenylaniline is sourced from PubChem (CID 166442530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).