7-chloro-2-N-[2-(methylamino)phenyl]-5,10-dihydrophenazine-2,3-diamine

C19H18ClN5 — CID 135139114

IUPAC7-chloro-2-N-[2-(methylamino)phenyl]-5,10-dihydrophenazine-2,3-diamine
SMILESCNc1ccccc1Nc1cc2c(cc1N)Nc1cc(Cl)ccc1N2
InChIInChI=1S/C19H18ClN5/c1-22-13-4-2-3-5-14(13)23-16-10-19-18(9-12(16)21)25-17-8-11(20)6-7-15(17)24-19/h2-10,22-25H,21H2,1H3
InChIKeyPDZRRWJKTIJOPB-UHFFFAOYSA-N
MW351.84 g/mol
LogP5.51
Rot. Bonds3

About 7-chloro-2-N-[2-(methylamino)phenyl]-5,10-dihydrophenazine-2,3-diamine

7-chloro-2-N-[2-(methylamino)phenyl]-5,10-dihydrophenazine-2,3-diamine (PubChem CID 135139114) has the molecular formula C19H18ClN5 and a molecular weight of 351.84 g/mol. Its IUPAC name is 7-chloro-2-N-[2-(methylamino)phenyl]-5,10-dihydrophenazine-2,3-diamine.

Molecular Properties

Compound Name7-chloro-2-N-[2-(methylamino)phenyl]-5,10-dihydrophenazine-2,3-diamine
PubChem CID135139114
Molecular FormulaC19H18ClN5
Molecular Weight351.84 g/mol
Exact Mass351.13
IUPAC Name7-chloro-2-N-[2-(methylamino)phenyl]-5,10-dihydrophenazine-2,3-diamine
SMILESCNc1ccccc1Nc1cc2c(cc1N)Nc1cc(Cl)ccc1N2
InChIInChI=1S/C19H18ClN5/c1-22-13-4-2-3-5-14(13)23-16-10-19-18(9-12(16)21)25-17-8-11(20)6-7-15(17)24-19/h2-10,22-25H,21H2,1H3
InChIKeyPDZRRWJKTIJOPB-UHFFFAOYSA-N
XLogP5.51
TPSA74.14 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.84
LogP ≤ 55.51
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

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2-(2-amino-5-chloroanilino)benzoic acid
CID 59783721
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Frequently Asked Questions

What is the IUPAC name of 7-chloro-2-N-[2-(methylamino)phenyl]-5,10-dihydrophenazine-2,3-diamine?
The IUPAC name of 7-chloro-2-N-[2-(methylamino)phenyl]-5,10-dihydrophenazine-2,3-diamine (CID 135139114) is 7-chloro-2-N-[2-(methylamino)phenyl]-5,10-dihydrophenazine-2,3-diamine.
What is the SMILES notation for 7-chloro-2-N-[2-(methylamino)phenyl]-5,10-dihydrophenazine-2,3-diamine?
The canonical SMILES for 7-chloro-2-N-[2-(methylamino)phenyl]-5,10-dihydrophenazine-2,3-diamine is CNc1ccccc1Nc1cc2c(cc1N)Nc1cc(Cl)ccc1N2.
What is the InChIKey of 7-chloro-2-N-[2-(methylamino)phenyl]-5,10-dihydrophenazine-2,3-diamine?
The InChIKey is PDZRRWJKTIJOPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN5/c1-22-13-4-2-3-5-14(13)23-16-10-19-18(9-12(16)21)25-17-8-11(20)6-7-15(17)24-19/h2-10,22-25H,21H2,1H3.
What are the key properties of 7-chloro-2-N-[2-(methylamino)phenyl]-5,10-dihydrophenazine-2,3-diamine?
7-chloro-2-N-[2-(methylamino)phenyl]-5,10-dihydrophenazine-2,3-diamine has a molecular weight of 351.84 g/mol, XLogP of 5.51, 3 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-2-N-[2-(methylamino)phenyl]-5,10-dihydrophenazine-2,3-diamine is sourced from PubChem (CID 135139114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).