2-(4-chlorophenyl)-2,5-dimethyl-1,3-oxazinane;hydrochloride

C12H17Cl2NO — CID 117227130

IUPAC2-(4-chlorophenyl)-2,5-dimethyl-1,3-oxazinane;hydrochloride
SMILESCC1CNC(C)(c2ccc(Cl)cc2)OC1.Cl
InChIInChI=1S/C12H16ClNO.ClH/c1-9-7-14-12(2,15-8-9)10-3-5-11(13)6-4-10;/h3-6,9,14H,7-8H2,1-2H3;1H
InChIKeyGPHAVWLUICTQMO-UHFFFAOYSA-N
MW262.18 g/mol
LogP3.19
Rot. Bonds1

About 2-(4-chlorophenyl)-2,5-dimethyl-1,3-oxazinane;hydrochloride

2-(4-chlorophenyl)-2,5-dimethyl-1,3-oxazinane;hydrochloride (PubChem CID 117227130) has the molecular formula C12H17Cl2NO and a molecular weight of 262.18 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-2,5-dimethyl-1,3-oxazinane;hydrochloride.

Molecular Properties

Compound Name2-(4-chlorophenyl)-2,5-dimethyl-1,3-oxazinane;hydrochloride
PubChem CID117227130
Molecular FormulaC12H17Cl2NO
Molecular Weight262.18 g/mol
Exact Mass261.07
IUPAC Name2-(4-chlorophenyl)-2,5-dimethyl-1,3-oxazinane;hydrochloride
SMILESCC1CNC(C)(c2ccc(Cl)cc2)OC1.Cl
InChIInChI=1S/C12H16ClNO.ClH/c1-9-7-14-12(2,15-8-9)10-3-5-11(13)6-4-10;/h3-6,9,14H,7-8H2,1-2H3;1H
InChIKeyGPHAVWLUICTQMO-UHFFFAOYSA-N
XLogP3.19
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.18
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-2,5-dimethyl-1,3-oxazinane;hydrochloride?
The IUPAC name of 2-(4-chlorophenyl)-2,5-dimethyl-1,3-oxazinane;hydrochloride (CID 117227130) is 2-(4-chlorophenyl)-2,5-dimethyl-1,3-oxazinane;hydrochloride.
What is the SMILES notation for 2-(4-chlorophenyl)-2,5-dimethyl-1,3-oxazinane;hydrochloride?
The canonical SMILES for 2-(4-chlorophenyl)-2,5-dimethyl-1,3-oxazinane;hydrochloride is CC1CNC(C)(c2ccc(Cl)cc2)OC1.Cl.
What is the InChIKey of 2-(4-chlorophenyl)-2,5-dimethyl-1,3-oxazinane;hydrochloride?
The InChIKey is GPHAVWLUICTQMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO.ClH/c1-9-7-14-12(2,15-8-9)10-3-5-11(13)6-4-10;/h3-6,9,14H,7-8H2,1-2H3;1H.
What are the key properties of 2-(4-chlorophenyl)-2,5-dimethyl-1,3-oxazinane;hydrochloride?
2-(4-chlorophenyl)-2,5-dimethyl-1,3-oxazinane;hydrochloride has a molecular weight of 262.18 g/mol, XLogP of 3.19, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-2,5-dimethyl-1,3-oxazinane;hydrochloride is sourced from PubChem (CID 117227130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).