8-chloro-2-propyl-2,3,4,4a,10,10a-hexahydro-1H-phenoxazine

C15H20ClNO — CID 115825541

IUPAC8-chloro-2-propyl-2,3,4,4a,10,10a-hexahydro-1H-phenoxazine
SMILESCCCC1CCC2Oc3ccc(Cl)cc3NC2C1
InChIInChI=1S/C15H20ClNO/c1-2-3-10-4-6-14-12(8-10)17-13-9-11(16)5-7-15(13)18-14/h5,7,9-10,12,14,17H,2-4,6,8H2,1H3
InChIKeyHCNTVIYBGJCNBS-UHFFFAOYSA-N
MW265.78 g/mol
LogP4.48
Rot. Bonds2

About 8-chloro-2-propyl-2,3,4,4a,10,10a-hexahydro-1H-phenoxazine

8-chloro-2-propyl-2,3,4,4a,10,10a-hexahydro-1H-phenoxazine (PubChem CID 115825541) has the molecular formula C15H20ClNO and a molecular weight of 265.78 g/mol. Its IUPAC name is 8-chloro-2-propyl-2,3,4,4a,10,10a-hexahydro-1H-phenoxazine.

Molecular Properties

Compound Name8-chloro-2-propyl-2,3,4,4a,10,10a-hexahydro-1H-phenoxazine
PubChem CID115825541
Molecular FormulaC15H20ClNO
Molecular Weight265.78 g/mol
Exact Mass265.12
IUPAC Name8-chloro-2-propyl-2,3,4,4a,10,10a-hexahydro-1H-phenoxazine
SMILESCCCC1CCC2Oc3ccc(Cl)cc3NC2C1
InChIInChI=1S/C15H20ClNO/c1-2-3-10-4-6-14-12(8-10)17-13-9-11(16)5-7-15(13)18-14/h5,7,9-10,12,14,17H,2-4,6,8H2,1H3
InChIKeyHCNTVIYBGJCNBS-UHFFFAOYSA-N
XLogP4.48
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.78
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 8-chloro-2-propyl-2,3,4,4a,10,10a-hexahydro-1H-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

8-ethyl-2-propyl-2,3,4,4a,10,10a-hexahydro-1H-phenoxazine
CID 115825516
7-chloro-2-ethyl-2,3,4,4a,10,10a-hexahydro-1H-phenoxazine
CID 114287020
8-chloro-1,3,4,4a,10,10a-hexahydropyrano[4,3-b][1,4]benzoxazine
CID 115825530
9-chloro-6,6a,7,12a-tetrahydro-5H-benzo[c]phenoxazine
CID 115825529
2-(2,5-dichlorophenyl)-4-propylcyclohexan-1-amine
CID 81014836
(2,5-dichlorophenyl)-(4-propylcyclohexyl)methanamine
CID 65423953
5-chloro-N-piperidin-4-yl-2,3-dihydro-1,3-benzoxazol-2-amine
CID 143288801
(2S)-5-chloro-2-(2-chlorophenyl)-2,3-dihydro-1,3-benzoxazole
CID 6929834
7-propyl-2,3,4,5,5a,6,7,8,9,9a-decahydrobenzo[b][1,4]oxazepine
CID 60916186
5-chloro-2,3-dihydro-1,3-benzoxazole-2-carboxylate;triethylazanium
CID 110180850
4-chloro-1-[(2-chloro-5-propylcyclohexyl)methyl]-2-fluorobenzene
CID 114857916
6-chloro-3-(1-methylpiperidin-4-yl)-3,4-dihydro-2H-1,4-benzoxazine
CID 116837716

Frequently Asked Questions

What is the IUPAC name of 8-chloro-2-propyl-2,3,4,4a,10,10a-hexahydro-1H-phenoxazine?
The IUPAC name of 8-chloro-2-propyl-2,3,4,4a,10,10a-hexahydro-1H-phenoxazine (CID 115825541) is 8-chloro-2-propyl-2,3,4,4a,10,10a-hexahydro-1H-phenoxazine.
What is the SMILES notation for 8-chloro-2-propyl-2,3,4,4a,10,10a-hexahydro-1H-phenoxazine?
The canonical SMILES for 8-chloro-2-propyl-2,3,4,4a,10,10a-hexahydro-1H-phenoxazine is CCCC1CCC2Oc3ccc(Cl)cc3NC2C1.
What is the InChIKey of 8-chloro-2-propyl-2,3,4,4a,10,10a-hexahydro-1H-phenoxazine?
The InChIKey is HCNTVIYBGJCNBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClNO/c1-2-3-10-4-6-14-12(8-10)17-13-9-11(16)5-7-15(13)18-14/h5,7,9-10,12,14,17H,2-4,6,8H2,1H3.
What are the key properties of 8-chloro-2-propyl-2,3,4,4a,10,10a-hexahydro-1H-phenoxazine?
8-chloro-2-propyl-2,3,4,4a,10,10a-hexahydro-1H-phenoxazine has a molecular weight of 265.78 g/mol, XLogP of 4.48, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-2-propyl-2,3,4,4a,10,10a-hexahydro-1H-phenoxazine is sourced from PubChem (CID 115825541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).