2,5,5-trimethyl-2-[(2-methylphenyl)methyl]-1,3-oxazinane;hydrochloride

C15H24ClNO — CID 117226848

IUPAC2,5,5-trimethyl-2-[(2-methylphenyl)methyl]-1,3-oxazinane;hydrochloride
SMILESCc1ccccc1CC1(C)NCC(C)(C)CO1.Cl
InChIInChI=1S/C15H23NO.ClH/c1-12-7-5-6-8-13(12)9-15(4)16-10-14(2,3)11-17-15;/h5-8,16H,9-11H2,1-4H3;1H
InChIKeyGWJBYOOTLXNLIO-UHFFFAOYSA-N
MW269.82 g/mol
LogP3.32
Rot. Bonds2

About 2,5,5-trimethyl-2-[(2-methylphenyl)methyl]-1,3-oxazinane;hydrochloride

2,5,5-trimethyl-2-[(2-methylphenyl)methyl]-1,3-oxazinane;hydrochloride (PubChem CID 117226848) has the molecular formula C15H24ClNO and a molecular weight of 269.82 g/mol. Its IUPAC name is 2,5,5-trimethyl-2-[(2-methylphenyl)methyl]-1,3-oxazinane;hydrochloride.

Molecular Properties

Compound Name2,5,5-trimethyl-2-[(2-methylphenyl)methyl]-1,3-oxazinane;hydrochloride
PubChem CID117226848
Molecular FormulaC15H24ClNO
Molecular Weight269.82 g/mol
Exact Mass269.15
IUPAC Name2,5,5-trimethyl-2-[(2-methylphenyl)methyl]-1,3-oxazinane;hydrochloride
SMILESCc1ccccc1CC1(C)NCC(C)(C)CO1.Cl
InChIInChI=1S/C15H23NO.ClH/c1-12-7-5-6-8-13(12)9-15(4)16-10-14(2,3)11-17-15;/h5-8,16H,9-11H2,1-4H3;1H
InChIKeyGWJBYOOTLXNLIO-UHFFFAOYSA-N
XLogP3.32
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.82
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(2,5,5-trimethyl-1,3-oxazinan-2-yl)methyl]phenol
CID 117226881
2-[(2-methoxyphenyl)methyl]-2,5,5-trimethyl-1,3-oxazinane
CID 117226883
2,5,5-trimethyl-2-[(3-methylphenyl)methyl]-1,3-oxazinane
CID 117226801
2-[(3-chlorophenyl)methyl]-2,5,5-trimethyl-1,3-oxazinane;hydrochloride
CID 117226818
3-fluoro-3-[(2-methylphenyl)methyl]azetidine;hydrochloride
CID 122239730
6-methyl-6-[(2-methylphenyl)methyl]morpholin-3-one
CID 117159172
5-methyl-5-[(2-methylphenyl)methyl]-1,3-oxazolidin-2-one
CID 117158984
2-[(2-methoxyphenyl)methyl]-2,4,4-trimethyl-1,3-oxazolidine
CID 117228329
2,4,4-trimethyl-2-[[2-(trifluoromethyl)phenyl]methyl]-1,3-oxazolidine
CID 117228283
4,4-dimethyl-2-[(2-methylphenyl)methyl]-1,3-oxazolidine
CID 117228287
[4,4-dimethyl-1-[(2-methylphenyl)methyl]cyclohexyl]methanamine
CID 65390377
3-(bromomethyl)-3-[(2-methylphenyl)methyl]oxolane
CID 66048541

Frequently Asked Questions

What is the IUPAC name of 2,5,5-trimethyl-2-[(2-methylphenyl)methyl]-1,3-oxazinane;hydrochloride?
The IUPAC name of 2,5,5-trimethyl-2-[(2-methylphenyl)methyl]-1,3-oxazinane;hydrochloride (CID 117226848) is 2,5,5-trimethyl-2-[(2-methylphenyl)methyl]-1,3-oxazinane;hydrochloride.
What is the SMILES notation for 2,5,5-trimethyl-2-[(2-methylphenyl)methyl]-1,3-oxazinane;hydrochloride?
The canonical SMILES for 2,5,5-trimethyl-2-[(2-methylphenyl)methyl]-1,3-oxazinane;hydrochloride is Cc1ccccc1CC1(C)NCC(C)(C)CO1.Cl.
What is the InChIKey of 2,5,5-trimethyl-2-[(2-methylphenyl)methyl]-1,3-oxazinane;hydrochloride?
The InChIKey is GWJBYOOTLXNLIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO.ClH/c1-12-7-5-6-8-13(12)9-15(4)16-10-14(2,3)11-17-15;/h5-8,16H,9-11H2,1-4H3;1H.
What are the key properties of 2,5,5-trimethyl-2-[(2-methylphenyl)methyl]-1,3-oxazinane;hydrochloride?
2,5,5-trimethyl-2-[(2-methylphenyl)methyl]-1,3-oxazinane;hydrochloride has a molecular weight of 269.82 g/mol, XLogP of 3.32, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5,5-trimethyl-2-[(2-methylphenyl)methyl]-1,3-oxazinane;hydrochloride is sourced from PubChem (CID 117226848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).