7-chloro-2-ethyl-2,3,4,4a,10,10a-hexahydro-1H-phenoxazine

C14H18ClNO — CID 114287020

IUPAC7-chloro-2-ethyl-2,3,4,4a,10,10a-hexahydro-1H-phenoxazine
SMILESCCC1CCC2Oc3cc(Cl)ccc3NC2C1
InChIInChI=1S/C14H18ClNO/c1-2-9-3-6-13-12(7-9)16-11-5-4-10(15)8-14(11)17-13/h4-5,8-9,12-13,16H,2-3,6-7H2,1H3
InChIKeyAJCGIKZSEJEEAM-UHFFFAOYSA-N
MW251.76 g/mol
LogP4.09
Rot. Bonds1

About 7-chloro-2-ethyl-2,3,4,4a,10,10a-hexahydro-1H-phenoxazine

7-chloro-2-ethyl-2,3,4,4a,10,10a-hexahydro-1H-phenoxazine (PubChem CID 114287020) has the molecular formula C14H18ClNO and a molecular weight of 251.76 g/mol. Its IUPAC name is 7-chloro-2-ethyl-2,3,4,4a,10,10a-hexahydro-1H-phenoxazine.

Molecular Properties

Compound Name7-chloro-2-ethyl-2,3,4,4a,10,10a-hexahydro-1H-phenoxazine
PubChem CID114287020
Molecular FormulaC14H18ClNO
Molecular Weight251.76 g/mol
Exact Mass251.11
IUPAC Name7-chloro-2-ethyl-2,3,4,4a,10,10a-hexahydro-1H-phenoxazine
SMILESCCC1CCC2Oc3cc(Cl)ccc3NC2C1
InChIInChI=1S/C14H18ClNO/c1-2-9-3-6-13-12(7-9)16-11-5-4-10(15)8-14(11)17-13/h4-5,8-9,12-13,16H,2-3,6-7H2,1H3
InChIKeyAJCGIKZSEJEEAM-UHFFFAOYSA-N
XLogP4.09
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.76
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-ethyl-7-methyl-2,3,4,4a,10,10a-hexahydro-1H-phenoxazine
CID 115825575
8-chloro-2-propyl-2,3,4,4a,10,10a-hexahydro-1H-phenoxazine
CID 115825541
8-ethyl-2-propyl-2,3,4,4a,10,10a-hexahydro-1H-phenoxazine
CID 115825516
8-chloro-1,3,4,4a,10,10a-hexahydropyrano[4,3-b][1,4]benzoxazine
CID 115825530
7-chloro-2-methyl-3,4-dihydro-2H-1,4-benzoxazine;ethane
CID 156641344
7-fluoro-2,3,4,4a,10,10a-hexahydro-1H-phenoxazine
CID 84620880
6-ethyl-3-phenyl-3,4,4a,5,6,7,8,8a-octahydro-2H-benzo[b][1,4]oxazine
CID 55159045
(5aS,11aR)-6,7,8,9,10,11,11a,12-octahydro-5aH-cycloocta[b][1,4]benzoxazine
CID 54857340
(3S)-7-chloro-3-iodo-3,4-dihydro-2H-1,4-benzoxazine
CID 166788539
(7-chloro-3,4-dihydro-2H-1,4-benzoxazin-3-yl)methanamine
CID 84619592
ethyl 7-chloro-3,4-dihydro-2H-1,4-benzoxazine-2-carboxylate
CID 18788380
1,4-dichloro-2-[(2-chloro-5-ethylcyclohexyl)methyl]benzene
CID 65321163

Frequently Asked Questions

What is the IUPAC name of 7-chloro-2-ethyl-2,3,4,4a,10,10a-hexahydro-1H-phenoxazine?
The IUPAC name of 7-chloro-2-ethyl-2,3,4,4a,10,10a-hexahydro-1H-phenoxazine (CID 114287020) is 7-chloro-2-ethyl-2,3,4,4a,10,10a-hexahydro-1H-phenoxazine.
What is the SMILES notation for 7-chloro-2-ethyl-2,3,4,4a,10,10a-hexahydro-1H-phenoxazine?
The canonical SMILES for 7-chloro-2-ethyl-2,3,4,4a,10,10a-hexahydro-1H-phenoxazine is CCC1CCC2Oc3cc(Cl)ccc3NC2C1.
What is the InChIKey of 7-chloro-2-ethyl-2,3,4,4a,10,10a-hexahydro-1H-phenoxazine?
The InChIKey is AJCGIKZSEJEEAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClNO/c1-2-9-3-6-13-12(7-9)16-11-5-4-10(15)8-14(11)17-13/h4-5,8-9,12-13,16H,2-3,6-7H2,1H3.
What are the key properties of 7-chloro-2-ethyl-2,3,4,4a,10,10a-hexahydro-1H-phenoxazine?
7-chloro-2-ethyl-2,3,4,4a,10,10a-hexahydro-1H-phenoxazine has a molecular weight of 251.76 g/mol, XLogP of 4.09, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-2-ethyl-2,3,4,4a,10,10a-hexahydro-1H-phenoxazine is sourced from PubChem (CID 114287020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).