N,N-diethyl-7-phenyliminophenoxazin-3-amine

C22H21N3O — CID 22950317

IUPACN,N-diethyl-7-phenyliminophenoxazin-3-amine
SMILESCCN(CC)c1ccc2nc3cc/c(=N\c4ccccc4)cc-3oc2c1
InChIInChI=1S/C22H21N3O/c1-3-25(4-2)18-11-13-20-22(15-18)26-21-14-17(10-12-19(21)24-20)23-16-8-6-5-7-9-16/h5-15H,3-4H2,1-2H3/b23-17+
InChIKeyCYKNJGHPRJNRMV-HAVVHWLPSA-N
MW343.43 g/mol
LogP5.01
Rot. Bonds4

About N,N-diethyl-7-phenyliminophenoxazin-3-amine

N,N-diethyl-7-phenyliminophenoxazin-3-amine (PubChem CID 22950317) has the molecular formula C22H21N3O and a molecular weight of 343.43 g/mol. Its IUPAC name is N,N-diethyl-7-phenyliminophenoxazin-3-amine.

Molecular Properties

Compound NameN,N-diethyl-7-phenyliminophenoxazin-3-amine
PubChem CID22950317
Molecular FormulaC22H21N3O
Molecular Weight343.43 g/mol
Exact Mass343.17
IUPAC NameN,N-diethyl-7-phenyliminophenoxazin-3-amine
SMILESCCN(CC)c1ccc2nc3cc/c(=N\c4ccccc4)cc-3oc2c1
InChIInChI=1S/C22H21N3O/c1-3-25(4-2)18-11-13-20-22(15-18)26-21-14-17(10-12-19(21)24-20)23-16-8-6-5-7-9-16/h5-15H,3-4H2,1-2H3/b23-17+
InChIKeyCYKNJGHPRJNRMV-HAVVHWLPSA-N
XLogP5.01
TPSA41.63 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.43
LogP ≤ 55.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

[7-(diethylamino)phenoxazin-3-ylidene]-bis(2-hydroxyethyl)azanium
CID 59653482
10H-phenoxazine;N-phenylphenoxazin-3-imine
CID 155125781
2-amino-7-(diethylamino)phenoxazin-3-one
CID 132509564
dibutyl-[7-(diethylamino)phenoxazin-3-ylidene]azanium perchlorate
CID 11554773
[7-(diethylamino)phenoxazin-3-ylidene]-ethyl-propylazanium perchlorate
CID 158420932
N,N-diethyl-10-ethyliminobenzo[c]phenoxazin-3-amine
CID 146490200
N,N-diethyl-5-pyridin-2-yliminobenzo[a]phenoxazin-9-amine
CID 66870971
5-(2-chlorophenyl)imino-N,N-diethylbenzo[a]phenoxazin-9-amine
CID 56661665
N-ethyl-7-ethyliminophenoxazin-3-amine
CID 101087626
N,N-diethyl-7-iminonaphtho[2,3-a]phenoxazin-3-amine
CID 142048774
N,N-diethyl-3-methyl-5-pyridin-2-yliminobenzo[a]phenoxazin-9-amine
CID 70914310
(5E)-3-bromo-N,N-diethyl-5-pyridin-2-yliminobenzo[a]phenoxazin-9-amine
CID 54580679

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-7-phenyliminophenoxazin-3-amine?
The IUPAC name of N,N-diethyl-7-phenyliminophenoxazin-3-amine (CID 22950317) is N,N-diethyl-7-phenyliminophenoxazin-3-amine.
What is the SMILES notation for N,N-diethyl-7-phenyliminophenoxazin-3-amine?
The canonical SMILES for N,N-diethyl-7-phenyliminophenoxazin-3-amine is CCN(CC)c1ccc2nc3cc/c(=N\c4ccccc4)cc-3oc2c1.
What is the InChIKey of N,N-diethyl-7-phenyliminophenoxazin-3-amine?
The InChIKey is CYKNJGHPRJNRMV-HAVVHWLPSA-N. The full InChI is InChI=1S/C22H21N3O/c1-3-25(4-2)18-11-13-20-22(15-18)26-21-14-17(10-12-19(21)24-20)23-16-8-6-5-7-9-16/h5-15H,3-4H2,1-2H3/b23-17+.
What are the key properties of N,N-diethyl-7-phenyliminophenoxazin-3-amine?
N,N-diethyl-7-phenyliminophenoxazin-3-amine has a molecular weight of 343.43 g/mol, XLogP of 5.01, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-7-phenyliminophenoxazin-3-amine is sourced from PubChem (CID 22950317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).