10-chloro-2-N,2-N-dimethyl-5H-phenazine-2,8-diamine

C14H15ClN4 — CID 174994612

IUPAC10-chloro-2-N,2-N-dimethyl-5H-phenazine-2,8-diamine
SMILESCN(C)c1ccc2c(c1)N(Cl)c1cc(N)ccc1N2
InChIInChI=1S/C14H15ClN4/c1-18(2)10-4-6-12-14(8-10)19(15)13-7-9(16)3-5-11(13)17-12/h3-8,17H,16H2,1-2H3
InChIKeyOXCQHABWGWZGDJ-UHFFFAOYSA-N
MW274.76 g/mol
LogP3.68
Rot. Bonds1

About 10-chloro-2-N,2-N-dimethyl-5H-phenazine-2,8-diamine

10-chloro-2-N,2-N-dimethyl-5H-phenazine-2,8-diamine (PubChem CID 174994612) has the molecular formula C14H15ClN4 and a molecular weight of 274.76 g/mol. Its IUPAC name is 10-chloro-2-N,2-N-dimethyl-5H-phenazine-2,8-diamine.

Molecular Properties

Compound Name10-chloro-2-N,2-N-dimethyl-5H-phenazine-2,8-diamine
PubChem CID174994612
Molecular FormulaC14H15ClN4
Molecular Weight274.76 g/mol
Exact Mass274.10
IUPAC Name10-chloro-2-N,2-N-dimethyl-5H-phenazine-2,8-diamine
SMILESCN(C)c1ccc2c(c1)N(Cl)c1cc(N)ccc1N2
InChIInChI=1S/C14H15ClN4/c1-18(2)10-4-6-12-14(8-10)19(15)13-7-9(16)3-5-11(13)17-12/h3-8,17H,16H2,1-2H3
InChIKeyOXCQHABWGWZGDJ-UHFFFAOYSA-N
XLogP3.68
TPSA44.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.76
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'N-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 10-chloro-2-N,2-N-dimethyl-5H-phenazine-2,8-diamine?
The IUPAC name of 10-chloro-2-N,2-N-dimethyl-5H-phenazine-2,8-diamine (CID 174994612) is 10-chloro-2-N,2-N-dimethyl-5H-phenazine-2,8-diamine.
What is the SMILES notation for 10-chloro-2-N,2-N-dimethyl-5H-phenazine-2,8-diamine?
The canonical SMILES for 10-chloro-2-N,2-N-dimethyl-5H-phenazine-2,8-diamine is CN(C)c1ccc2c(c1)N(Cl)c1cc(N)ccc1N2.
What is the InChIKey of 10-chloro-2-N,2-N-dimethyl-5H-phenazine-2,8-diamine?
The InChIKey is OXCQHABWGWZGDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN4/c1-18(2)10-4-6-12-14(8-10)19(15)13-7-9(16)3-5-11(13)17-12/h3-8,17H,16H2,1-2H3.
What are the key properties of 10-chloro-2-N,2-N-dimethyl-5H-phenazine-2,8-diamine?
10-chloro-2-N,2-N-dimethyl-5H-phenazine-2,8-diamine has a molecular weight of 274.76 g/mol, XLogP of 3.68, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-chloro-2-N,2-N-dimethyl-5H-phenazine-2,8-diamine is sourced from PubChem (CID 174994612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).