1-heptyl-2-methyl-10H-phenoxazine

C20H25NO — CID 91198845

IUPAC1-heptyl-2-methyl-10H-phenoxazine
SMILESCCCCCCCc1c(C)ccc2c1Nc1ccccc1O2
InChIInChI=1S/C20H25NO/c1-3-4-5-6-7-10-16-15(2)13-14-19-20(16)21-17-11-8-9-12-18(17)22-19/h8-9,11-14,21H,3-7,10H2,1-2H3
InChIKeySXDUJTPMYLPDTH-UHFFFAOYSA-N
MW295.43 g/mol
LogP6.36
Rot. Bonds6

About 1-heptyl-2-methyl-10H-phenoxazine

1-heptyl-2-methyl-10H-phenoxazine (PubChem CID 91198845) has the molecular formula C20H25NO and a molecular weight of 295.43 g/mol. Its IUPAC name is 1-heptyl-2-methyl-10H-phenoxazine.

Molecular Properties

Compound Name1-heptyl-2-methyl-10H-phenoxazine
PubChem CID91198845
Molecular FormulaC20H25NO
Molecular Weight295.43 g/mol
Exact Mass295.19
IUPAC Name1-heptyl-2-methyl-10H-phenoxazine
SMILESCCCCCCCc1c(C)ccc2c1Nc1ccccc1O2
InChIInChI=1S/C20H25NO/c1-3-4-5-6-7-10-16-15(2)13-14-19-20(16)21-17-11-8-9-12-18(17)22-19/h8-9,11-14,21H,3-7,10H2,1-2H3
InChIKeySXDUJTPMYLPDTH-UHFFFAOYSA-N
XLogP6.36
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500295.43
LogP ≤ 56.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-heptyl-2-methyl-10H-phenoxazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(1-decyl-2-methylphenoxazin-10-yl)-2-methyl-4-(2-methyl-1-nonylphenoxazin-10-yl)-1-undecyl-10H-phenoxazine
CID 91294233
10H-phenoxazine
CID 161421901
1-pentan-2-yl-10H-phenoxazine
CID 173176644
1,2-didecyl-9,9-dimethylxanthene
CID 70130901
1,2-dihexyl-9,9-dimethylxanthene
CID 70129597
1-cyclohexyl-2-methyl-10H-phenoxazine
CID 91149715
2-ethyl-10H-phenoxazine
CID 172732916
1-hexyl-5,10-dihydrophenazine
CID 141276378
3-propyl-10H-phenoxazine
CID 140739556
N,N-diphenylaniline;10H-phenoxazine
CID 174810342
1,2-di(tetracosyl)-10H-phenothiazine
CID 19756653
10H-phenoxazin-1-ylazanium
CID 163682705

Frequently Asked Questions

What is the IUPAC name of 1-heptyl-2-methyl-10H-phenoxazine?
The IUPAC name of 1-heptyl-2-methyl-10H-phenoxazine (CID 91198845) is 1-heptyl-2-methyl-10H-phenoxazine.
What is the SMILES notation for 1-heptyl-2-methyl-10H-phenoxazine?
The canonical SMILES for 1-heptyl-2-methyl-10H-phenoxazine is CCCCCCCc1c(C)ccc2c1Nc1ccccc1O2.
What is the InChIKey of 1-heptyl-2-methyl-10H-phenoxazine?
The InChIKey is SXDUJTPMYLPDTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO/c1-3-4-5-6-7-10-16-15(2)13-14-19-20(16)21-17-11-8-9-12-18(17)22-19/h8-9,11-14,21H,3-7,10H2,1-2H3.
What are the key properties of 1-heptyl-2-methyl-10H-phenoxazine?
1-heptyl-2-methyl-10H-phenoxazine has a molecular weight of 295.43 g/mol, XLogP of 6.36, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-heptyl-2-methyl-10H-phenoxazine is sourced from PubChem (CID 91198845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).