N,N-diethyl-4-phenothiazin-10-ylaniline

C22H22N2S — CID 86145082

IUPACN,N-diethyl-4-phenothiazin-10-ylaniline
SMILESCCN(CC)c1ccc(N2c3ccccc3Sc3ccccc32)cc1
InChIInChI=1S/C22H22N2S/c1-3-23(4-2)17-13-15-18(16-14-17)24-19-9-5-7-11-21(19)25-22-12-8-6-10-20(22)24/h5-16H,3-4H2,1-2H3
InChIKeyMERJGQSICUHFHF-UHFFFAOYSA-N
MW346.50 g/mol
LogP6.47
Rot. Bonds4

About N,N-diethyl-4-phenothiazin-10-ylaniline

N,N-diethyl-4-phenothiazin-10-ylaniline (PubChem CID 86145082) has the molecular formula C22H22N2S and a molecular weight of 346.50 g/mol. Its IUPAC name is N,N-diethyl-4-phenothiazin-10-ylaniline.

Molecular Properties

Compound NameN,N-diethyl-4-phenothiazin-10-ylaniline
PubChem CID86145082
Molecular FormulaC22H22N2S
Molecular Weight346.50 g/mol
Exact Mass346.15
IUPAC NameN,N-diethyl-4-phenothiazin-10-ylaniline
SMILESCCN(CC)c1ccc(N2c3ccccc3Sc3ccccc32)cc1
InChIInChI=1S/C22H22N2S/c1-3-23(4-2)17-13-15-18(16-14-17)24-19-9-5-7-11-21(19)25-22-12-8-6-10-20(22)24/h5-16H,3-4H2,1-2H3
InChIKeyMERJGQSICUHFHF-UHFFFAOYSA-N
XLogP6.47
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.50
LogP ≤ 56.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N,N-dimethyl-4-phenothiazin-10-ylaniline
CID 149200025
10-(4-butylphenyl)phenothiazine
CID 22381652
4-butyl-N-(4-butylphenyl)-N-[4-[(E)-2-(4-phenothiazin-10-ylphenyl)ethenyl]phenyl]aniline
CID 59850661
10-(6-phenothiazin-10-ylnaphthalen-2-yl)phenothiazine
CID 141449755
1-N,1-N,4-N,4-N-tetraethylbenzene-1,4-diamine
CID 14438301
[4-[4-[N-[4-[4-(2-methylprop-2-enoyloxy)phenyl]phenyl]-4-(4-phenothiazin-10-ylphenyl)anilino]phenyl]phenyl] 2-methylprop-2-enoate
CID 58520094
perchloric acid;10-phenylphenothiazine
CID 71365783
N,N-diethylaniline
CID 7061
N,N-diphenyl-4-[10-[4-(N-phenylanilino)phenyl]phenazin-5-yl]aniline
CID 101231967
(5Z)-3-(2-chlorophenyl)-5-[[4-(diethylamino)phenyl]methylidene]-1,3-thiazolidine-2,4-dione
CID 126063274
1-N,1-N,4-N,4-N-tetraethylbenzene-1,4-diamine;hydrochloride
CID 70262837
10-(4-thiophen-2-ylphenyl)phenothiazine
CID 142724599

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4-phenothiazin-10-ylaniline?
The IUPAC name of N,N-diethyl-4-phenothiazin-10-ylaniline (CID 86145082) is N,N-diethyl-4-phenothiazin-10-ylaniline.
What is the SMILES notation for N,N-diethyl-4-phenothiazin-10-ylaniline?
The canonical SMILES for N,N-diethyl-4-phenothiazin-10-ylaniline is CCN(CC)c1ccc(N2c3ccccc3Sc3ccccc32)cc1.
What is the InChIKey of N,N-diethyl-4-phenothiazin-10-ylaniline?
The InChIKey is MERJGQSICUHFHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2S/c1-3-23(4-2)17-13-15-18(16-14-17)24-19-9-5-7-11-21(19)25-22-12-8-6-10-20(22)24/h5-16H,3-4H2,1-2H3.
What are the key properties of N,N-diethyl-4-phenothiazin-10-ylaniline?
N,N-diethyl-4-phenothiazin-10-ylaniline has a molecular weight of 346.50 g/mol, XLogP of 6.47, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4-phenothiazin-10-ylaniline is sourced from PubChem (CID 86145082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).