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

C18H12ClN3 — CID 166632876

IUPACN-(3-chlorophenyl)-1,10-phenanthrolin-2-amine
SMILESClc1cccc(Nc2ccc3ccc4cccnc4c3n2)c1
InChIInChI=1S/C18H12ClN3/c19-14-4-1-5-15(11-14)21-16-9-8-13-7-6-12-3-2-10-20-17(12)18(13)22-16/h1-11H,(H,21,22)
InChIKeyLZTBWCFBHDLAGH-UHFFFAOYSA-N
MW305.77 g/mol
LogP5.18
Rot. Bonds2

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

N-(3-chlorophenyl)-1,10-phenanthrolin-2-amine (PubChem CID 166632876) has the molecular formula C18H12ClN3 and a molecular weight of 305.77 g/mol. Its IUPAC name is N-(3-chlorophenyl)-1,10-phenanthrolin-2-amine.

Molecular Properties

Compound NameN-(3-chlorophenyl)-1,10-phenanthrolin-2-amine
PubChem CID166632876
Molecular FormulaC18H12ClN3
Molecular Weight305.77 g/mol
Exact Mass305.07
IUPAC NameN-(3-chlorophenyl)-1,10-phenanthrolin-2-amine
SMILESClc1cccc(Nc2ccc3ccc4cccnc4c3n2)c1
InChIInChI=1S/C18H12ClN3/c19-14-4-1-5-15(11-14)21-16-9-8-13-7-6-12-3-2-10-20-17(12)18(13)22-16/h1-11H,(H,21,22)
InChIKeyLZTBWCFBHDLAGH-UHFFFAOYSA-N
XLogP5.18
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500305.77
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-chlorophenyl)-1,10-phenanthrolin-2-amine?
The IUPAC name of N-(3-chlorophenyl)-1,10-phenanthrolin-2-amine (CID 166632876) is N-(3-chlorophenyl)-1,10-phenanthrolin-2-amine.
What is the SMILES notation for N-(3-chlorophenyl)-1,10-phenanthrolin-2-amine?
The canonical SMILES for N-(3-chlorophenyl)-1,10-phenanthrolin-2-amine is Clc1cccc(Nc2ccc3ccc4cccnc4c3n2)c1.
What is the InChIKey of N-(3-chlorophenyl)-1,10-phenanthrolin-2-amine?
The InChIKey is LZTBWCFBHDLAGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12ClN3/c19-14-4-1-5-15(11-14)21-16-9-8-13-7-6-12-3-2-10-20-17(12)18(13)22-16/h1-11H,(H,21,22).
What are the key properties of N-(3-chlorophenyl)-1,10-phenanthrolin-2-amine?
N-(3-chlorophenyl)-1,10-phenanthrolin-2-amine has a molecular weight of 305.77 g/mol, XLogP of 5.18, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-1,10-phenanthrolin-2-amine is sourced from PubChem (CID 166632876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).