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

C14H21Cl2NO — CID 117226818

IUPAC2-[(3-chlorophenyl)methyl]-2,5,5-trimethyl-1,3-oxazinane;hydrochloride
SMILESCC1(C)CNC(C)(Cc2cccc(Cl)c2)OC1.Cl
InChIInChI=1S/C14H20ClNO.ClH/c1-13(2)9-16-14(3,17-10-13)8-11-5-4-6-12(15)7-11;/h4-7,16H,8-10H2,1-3H3;1H
InChIKeyMSRBBVWHOWMTPB-UHFFFAOYSA-N
MW290.23 g/mol
LogP3.67
Rot. Bonds2

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

2-[(3-chlorophenyl)methyl]-2,5,5-trimethyl-1,3-oxazinane;hydrochloride (PubChem CID 117226818) has the molecular formula C14H21Cl2NO and a molecular weight of 290.23 g/mol. Its IUPAC name is 2-[(3-chlorophenyl)methyl]-2,5,5-trimethyl-1,3-oxazinane;hydrochloride.

Molecular Properties

Compound Name2-[(3-chlorophenyl)methyl]-2,5,5-trimethyl-1,3-oxazinane;hydrochloride
PubChem CID117226818
Molecular FormulaC14H21Cl2NO
Molecular Weight290.23 g/mol
Exact Mass289.10
IUPAC Name2-[(3-chlorophenyl)methyl]-2,5,5-trimethyl-1,3-oxazinane;hydrochloride
SMILESCC1(C)CNC(C)(Cc2cccc(Cl)c2)OC1.Cl
InChIInChI=1S/C14H20ClNO.ClH/c1-13(2)9-16-14(3,17-10-13)8-11-5-4-6-12(15)7-11;/h4-7,16H,8-10H2,1-3H3;1H
InChIKeyMSRBBVWHOWMTPB-UHFFFAOYSA-N
XLogP3.67
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.23
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,5,5-trimethyl-2-[(3-methylphenyl)methyl]-1,3-oxazinane
CID 117226801
2-[(3-bromophenyl)methyl]-2,5,5-trimethyl-1,3-oxazinane
CID 117227260
2,5,5-trimethyl-2-[(2-methylphenyl)methyl]-1,3-oxazinane;hydrochloride
CID 117226848
6-[(3-chlorophenyl)methyl]-6-methyl-1,4-oxazepane
CID 82292610
2-[(3-chlorophenyl)methyl]-2-methylpyrrolidine;hydrochloride
CID 122156828
1-[(3-chlorophenyl)methyl]-3,3,5,5-tetramethylcyclohexan-1-ol
CID 112682618
[1-[(3-chlorophenyl)methyl]-4,4-dimethylcyclohexyl]methanamine
CID 65391761
1-[(3-chlorophenyl)methyl]-4,4-dimethylcyclohexane-1-carbonitrile
CID 65392356
2-[(3-chlorophenyl)methyl]-2-cyclopropylpyrrolidine
CID 66466260
3-[(3-chlorophenyl)methyl]-3-methylcyclopentan-1-amine
CID 116538936
5-[(3-chlorophenyl)methyl]-5-methylpyrrolidin-2-one
CID 104687299
2-[(3-chlorophenyl)methyl]-1,3,3-trimethylbicyclo[2.2.1]heptan-2-ol
CID 115401361

Frequently Asked Questions

What is the IUPAC name of 2-[(3-chlorophenyl)methyl]-2,5,5-trimethyl-1,3-oxazinane;hydrochloride?
The IUPAC name of 2-[(3-chlorophenyl)methyl]-2,5,5-trimethyl-1,3-oxazinane;hydrochloride (CID 117226818) is 2-[(3-chlorophenyl)methyl]-2,5,5-trimethyl-1,3-oxazinane;hydrochloride.
What is the SMILES notation for 2-[(3-chlorophenyl)methyl]-2,5,5-trimethyl-1,3-oxazinane;hydrochloride?
The canonical SMILES for 2-[(3-chlorophenyl)methyl]-2,5,5-trimethyl-1,3-oxazinane;hydrochloride is CC1(C)CNC(C)(Cc2cccc(Cl)c2)OC1.Cl.
What is the InChIKey of 2-[(3-chlorophenyl)methyl]-2,5,5-trimethyl-1,3-oxazinane;hydrochloride?
The InChIKey is MSRBBVWHOWMTPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO.ClH/c1-13(2)9-16-14(3,17-10-13)8-11-5-4-6-12(15)7-11;/h4-7,16H,8-10H2,1-3H3;1H.
What are the key properties of 2-[(3-chlorophenyl)methyl]-2,5,5-trimethyl-1,3-oxazinane;hydrochloride?
2-[(3-chlorophenyl)methyl]-2,5,5-trimethyl-1,3-oxazinane;hydrochloride has a molecular weight of 290.23 g/mol, XLogP of 3.67, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chlorophenyl)methyl]-2,5,5-trimethyl-1,3-oxazinane;hydrochloride is sourced from PubChem (CID 117226818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).