(2S,4S)-2-(4-chlorophenyl)-4-ethyl-1,3-oxazinane

C12H16ClNO — CID 23660244

IUPAC(2S,4S)-2-(4-chlorophenyl)-4-ethyl-1,3-oxazinane
SMILESCC[C@H]1CCO[C@@H](c2ccc(Cl)cc2)N1
InChIInChI=1S/C12H16ClNO/c1-2-11-7-8-15-12(14-11)9-3-5-10(13)6-4-9/h3-6,11-12,14H,2,7-8H2,1H3/t11-,12-/m0/s1
InChIKeyFXBRAQZDTCRWCN-RYUDHWBXSA-N
MW225.72 g/mol
LogP3.13
Rot. Bonds2

About (2S,4S)-2-(4-chlorophenyl)-4-ethyl-1,3-oxazinane

(2S,4S)-2-(4-chlorophenyl)-4-ethyl-1,3-oxazinane (PubChem CID 23660244) has the molecular formula C12H16ClNO and a molecular weight of 225.72 g/mol. Its IUPAC name is (2S,4S)-2-(4-chlorophenyl)-4-ethyl-1,3-oxazinane.

Molecular Properties

Compound Name(2S,4S)-2-(4-chlorophenyl)-4-ethyl-1,3-oxazinane
PubChem CID23660244
Molecular FormulaC12H16ClNO
Molecular Weight225.72 g/mol
Exact Mass225.09
IUPAC Name(2S,4S)-2-(4-chlorophenyl)-4-ethyl-1,3-oxazinane
SMILESCC[C@H]1CCO[C@@H](c2ccc(Cl)cc2)N1
InChIInChI=1S/C12H16ClNO/c1-2-11-7-8-15-12(14-11)9-3-5-10(13)6-4-9/h3-6,11-12,14H,2,7-8H2,1H3/t11-,12-/m0/s1
InChIKeyFXBRAQZDTCRWCN-RYUDHWBXSA-N
XLogP3.13
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.72
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S,4S)-2-(4-chlorophenyl)-4-ethyl-1,3-oxazinane?
The IUPAC name of (2S,4S)-2-(4-chlorophenyl)-4-ethyl-1,3-oxazinane (CID 23660244) is (2S,4S)-2-(4-chlorophenyl)-4-ethyl-1,3-oxazinane.
What is the SMILES notation for (2S,4S)-2-(4-chlorophenyl)-4-ethyl-1,3-oxazinane?
The canonical SMILES for (2S,4S)-2-(4-chlorophenyl)-4-ethyl-1,3-oxazinane is CC[C@H]1CCO[C@@H](c2ccc(Cl)cc2)N1.
What is the InChIKey of (2S,4S)-2-(4-chlorophenyl)-4-ethyl-1,3-oxazinane?
The InChIKey is FXBRAQZDTCRWCN-RYUDHWBXSA-N. The full InChI is InChI=1S/C12H16ClNO/c1-2-11-7-8-15-12(14-11)9-3-5-10(13)6-4-9/h3-6,11-12,14H,2,7-8H2,1H3/t11-,12-/m0/s1.
What are the key properties of (2S,4S)-2-(4-chlorophenyl)-4-ethyl-1,3-oxazinane?
(2S,4S)-2-(4-chlorophenyl)-4-ethyl-1,3-oxazinane has a molecular weight of 225.72 g/mol, XLogP of 3.13, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-2-(4-chlorophenyl)-4-ethyl-1,3-oxazinane is sourced from PubChem (CID 23660244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).