N,N-diethyl-10-ethyliminobenzo[c]phenoxazin-3-amine

C22H23N3O — CID 146490200

IUPACN,N-diethyl-10-ethyliminobenzo[c]phenoxazin-3-amine
SMILESCC/N=c1\ccc2nc3ccc4cc(N(CC)CC)ccc4c3oc-2c1
InChIInChI=1S/C22H23N3O/c1-4-23-16-8-12-19-21(14-16)26-22-18-10-9-17(25(5-2)6-3)13-15(18)7-11-20(22)24-19/h7-14H,4-6H2,1-3H3/b23-16+
InChIKeyLPIBTOKZYANOJD-XQNSMLJCSA-N
MW345.45 g/mol
LogP4.85
Rot. Bonds4

About N,N-diethyl-10-ethyliminobenzo[c]phenoxazin-3-amine

N,N-diethyl-10-ethyliminobenzo[c]phenoxazin-3-amine (PubChem CID 146490200) has the molecular formula C22H23N3O and a molecular weight of 345.45 g/mol. Its IUPAC name is N,N-diethyl-10-ethyliminobenzo[c]phenoxazin-3-amine.

Molecular Properties

Compound NameN,N-diethyl-10-ethyliminobenzo[c]phenoxazin-3-amine
PubChem CID146490200
Molecular FormulaC22H23N3O
Molecular Weight345.45 g/mol
Exact Mass345.18
IUPAC NameN,N-diethyl-10-ethyliminobenzo[c]phenoxazin-3-amine
SMILESCC/N=c1\ccc2nc3ccc4cc(N(CC)CC)ccc4c3oc-2c1
InChIInChI=1S/C22H23N3O/c1-4-23-16-8-12-19-21(14-16)26-22-18-10-9-17(25(5-2)6-3)13-15(18)7-11-20(22)24-19/h7-14H,4-6H2,1-3H3/b23-16+
InChIKeyLPIBTOKZYANOJD-XQNSMLJCSA-N
XLogP4.85
TPSA41.63 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.45
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

N,N-diethyl-7-phenyliminophenoxazin-3-amine
CID 22950317
4-benzo[f]quinolin-3-yl-N,N-diethylaniline
CID 5063761
N,N-diethyl-2-methylquinolin-6-amine
CID 23464022
[7-(diethylamino)phenoxazin-3-ylidene]-bis(2-hydroxyethyl)azanium
CID 59653482
N,N-diethyl-5-methylnaphthalen-2-amine
CID 22944612
2-[3-(diethylamino)-6-ethyliminoxanthen-9-yl]benzoic acid;ethane
CID 142832415
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
[7-(diethylamino)phenothiazin-3-ylidene]-dimethylazanium chloride
CID 2753311
2-N,6-N,6-N-triethylquinoline-2,6-diamine
CID 174950109
N,N-diethylpyren-2-amine
CID 122393290

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-10-ethyliminobenzo[c]phenoxazin-3-amine?
The IUPAC name of N,N-diethyl-10-ethyliminobenzo[c]phenoxazin-3-amine (CID 146490200) is N,N-diethyl-10-ethyliminobenzo[c]phenoxazin-3-amine.
What is the SMILES notation for N,N-diethyl-10-ethyliminobenzo[c]phenoxazin-3-amine?
The canonical SMILES for N,N-diethyl-10-ethyliminobenzo[c]phenoxazin-3-amine is CC/N=c1\ccc2nc3ccc4cc(N(CC)CC)ccc4c3oc-2c1.
What is the InChIKey of N,N-diethyl-10-ethyliminobenzo[c]phenoxazin-3-amine?
The InChIKey is LPIBTOKZYANOJD-XQNSMLJCSA-N. The full InChI is InChI=1S/C22H23N3O/c1-4-23-16-8-12-19-21(14-16)26-22-18-10-9-17(25(5-2)6-3)13-15(18)7-11-20(22)24-19/h7-14H,4-6H2,1-3H3/b23-16+.
What are the key properties of N,N-diethyl-10-ethyliminobenzo[c]phenoxazin-3-amine?
N,N-diethyl-10-ethyliminobenzo[c]phenoxazin-3-amine has a molecular weight of 345.45 g/mol, XLogP of 4.85, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-10-ethyliminobenzo[c]phenoxazin-3-amine is sourced from PubChem (CID 146490200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).