1-(1-methylcyclooctyl)-10H-phenoxazine

C21H25NO — CID 173177198

IUPAC1-(1-methylcyclooctyl)-10H-phenoxazine
SMILESCC1(c2cccc3c2Nc2ccccc2O3)CCCCCCC1
InChIInChI=1S/C21H25NO/c1-21(14-7-3-2-4-8-15-21)16-10-9-13-19-20(16)22-17-11-5-6-12-18(17)23-19/h5-6,9-13,22H,2-4,7-8,14-15H2,1H3
InChIKeyIHGMASLBEPDUKA-UHFFFAOYSA-N
MW307.44 g/mol
LogP6.54
Rot. Bonds1

About 1-(1-methylcyclooctyl)-10H-phenoxazine

1-(1-methylcyclooctyl)-10H-phenoxazine (PubChem CID 173177198) has the molecular formula C21H25NO and a molecular weight of 307.44 g/mol. Its IUPAC name is 1-(1-methylcyclooctyl)-10H-phenoxazine.

Molecular Properties

Compound Name1-(1-methylcyclooctyl)-10H-phenoxazine
PubChem CID173177198
Molecular FormulaC21H25NO
Molecular Weight307.44 g/mol
Exact Mass307.19
IUPAC Name1-(1-methylcyclooctyl)-10H-phenoxazine
SMILESCC1(c2cccc3c2Nc2ccccc2O3)CCCCCCC1
InChIInChI=1S/C21H25NO/c1-21(14-7-3-2-4-8-15-21)16-10-9-13-19-20(16)22-17-11-5-6-12-18(17)23-19/h5-6,9-13,22H,2-4,7-8,14-15H2,1H3
InChIKeyIHGMASLBEPDUKA-UHFFFAOYSA-N
XLogP6.54
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500307.44
LogP ≤ 56.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-Ethoxy-2,2,4-trimethyl-1,2,3,4-tetrahydroquinoline
CID 86013
8-Methoxy-2,2,4-trimethyl-1,2,3,4-tetrahydroquinoline
CID 4266080
8-Ethoxy-2,2-dimethyl-1,2-dihydroquinoline
CID 44383798
8-ethoxyspiro[1H-quinoline-2,1'-cyclohexane]
CID 44383905
12H-Benzo[b]phenoxazine
CID 266947
8-Methoxy-2,2,4-trimethyl-1,2-dihydroquinoline
CID 604775
10H-phenoxazine-3-carbonitrile
CID 56680014
8-Methoxy-1,2,3,4-tetrahydroquinoline
CID 5200345
6-ethoxyspiro[3,4-dihydro-1H-quinoline-2,1'-cyclohexane]
CID 10198760
8-(3-(Piperidin-1-yl)propoxy)-1,2,3,4-tetrahydroquinoline
CID 44412696
4-(4-Methoxyphenyl)-2,2,4-trimethyl-1,2,3,4-tetrahydroquinoline
CID 2839644
3-phenyl-3,4-dihydro-2H-1,4-benzoxazine
CID 12474572

Frequently Asked Questions

What is the IUPAC name of 1-(1-methylcyclooctyl)-10H-phenoxazine?
The IUPAC name of 1-(1-methylcyclooctyl)-10H-phenoxazine (CID 173177198) is 1-(1-methylcyclooctyl)-10H-phenoxazine.
What is the SMILES notation for 1-(1-methylcyclooctyl)-10H-phenoxazine?
The canonical SMILES for 1-(1-methylcyclooctyl)-10H-phenoxazine is CC1(c2cccc3c2Nc2ccccc2O3)CCCCCCC1.
What is the InChIKey of 1-(1-methylcyclooctyl)-10H-phenoxazine?
The InChIKey is IHGMASLBEPDUKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO/c1-21(14-7-3-2-4-8-15-21)16-10-9-13-19-20(16)22-17-11-5-6-12-18(17)23-19/h5-6,9-13,22H,2-4,7-8,14-15H2,1H3.
What are the key properties of 1-(1-methylcyclooctyl)-10H-phenoxazine?
1-(1-methylcyclooctyl)-10H-phenoxazine has a molecular weight of 307.44 g/mol, XLogP of 6.54, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylcyclooctyl)-10H-phenoxazine is sourced from PubChem (CID 173177198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).