10-[2-(3-methylphenyl)ethyl]phenoxazine

C21H19NO — CID 123938198

IUPAC10-[2-(3-methylphenyl)ethyl]phenoxazine
SMILESCc1cccc(CCN2c3ccccc3Oc3ccccc32)c1
InChIInChI=1S/C21H19NO/c1-16-7-6-8-17(15-16)13-14-22-18-9-2-4-11-20(18)23-21-12-5-3-10-19(21)22/h2-12,15H,13-14H2,1H3
InChIKeyWCYNNQWJGMYKOK-UHFFFAOYSA-N
MW301.39 g/mol
LogP5.48
Rot. Bonds3

About 10-[2-(3-methylphenyl)ethyl]phenoxazine

10-[2-(3-methylphenyl)ethyl]phenoxazine (PubChem CID 123938198) has the molecular formula C21H19NO and a molecular weight of 301.39 g/mol. Its IUPAC name is 10-[2-(3-methylphenyl)ethyl]phenoxazine.

Molecular Properties

Compound Name10-[2-(3-methylphenyl)ethyl]phenoxazine
PubChem CID123938198
Molecular FormulaC21H19NO
Molecular Weight301.39 g/mol
Exact Mass301.15
IUPAC Name10-[2-(3-methylphenyl)ethyl]phenoxazine
SMILESCc1cccc(CCN2c3ccccc3Oc3ccccc32)c1
InChIInChI=1S/C21H19NO/c1-16-7-6-8-17(15-16)13-14-22-18-9-2-4-11-20(18)23-21-12-5-3-10-19(21)22/h2-12,15H,13-14H2,1H3
InChIKeyWCYNNQWJGMYKOK-UHFFFAOYSA-N
XLogP5.48
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500301.39
LogP ≤ 55.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_666_B(3)', 'substructure': 'N/A'}

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Related Compounds

10-[2-(4-methylphenoxy)ethyl]phenoxazine
CID 123668404
1-methyl-3-[8-(3-methylphenyl)octyl]benzene
CID 22920080
furan;1-methyl-3-propylbenzene
CID 90871497
3-[2-(3-methylphenyl)ethyl]-1H-imidazol-2-one
CID 103125537
2-(3-methylphenyl)ethanolate
CID 142208639
3-(2-propylphenoxazin-10-yl)propane-1-sulfonic acid
CID 54152710
2,5-dimethyl-1-[2-(3-methylphenyl)ethyl]pyrrole-3-carbaldehyde
CID 62312680
2-(3-methylphenyl)ethanamine;hydrochloride
CID 47003273
1-[2-(3-methylphenyl)ethyl]piperazine;dihydrochloride
CID 137346950
10-[3-(4-methylpiperazin-1-yl)propyl]phenoxazine
CID 59372977
1-methyl-2-[2-(3-methylphenyl)ethyl]benzene
CID 13419836
N-methyl-N-[2-(3-methylphenyl)ethyl]thiohydroxylamine
CID 129060272

Frequently Asked Questions

What is the IUPAC name of 10-[2-(3-methylphenyl)ethyl]phenoxazine?
The IUPAC name of 10-[2-(3-methylphenyl)ethyl]phenoxazine (CID 123938198) is 10-[2-(3-methylphenyl)ethyl]phenoxazine.
What is the SMILES notation for 10-[2-(3-methylphenyl)ethyl]phenoxazine?
The canonical SMILES for 10-[2-(3-methylphenyl)ethyl]phenoxazine is Cc1cccc(CCN2c3ccccc3Oc3ccccc32)c1.
What is the InChIKey of 10-[2-(3-methylphenyl)ethyl]phenoxazine?
The InChIKey is WCYNNQWJGMYKOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19NO/c1-16-7-6-8-17(15-16)13-14-22-18-9-2-4-11-20(18)23-21-12-5-3-10-19(21)22/h2-12,15H,13-14H2,1H3.
What are the key properties of 10-[2-(3-methylphenyl)ethyl]phenoxazine?
10-[2-(3-methylphenyl)ethyl]phenoxazine has a molecular weight of 301.39 g/mol, XLogP of 5.48, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[2-(3-methylphenyl)ethyl]phenoxazine is sourced from PubChem (CID 123938198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).