2-(5-chloro-2-methoxyphenyl)-3,5,5-trimethylmorpholine

C14H20ClNO2 — CID 82305740

IUPAC2-(5-chloro-2-methoxyphenyl)-3,5,5-trimethylmorpholine
SMILESCOc1ccc(Cl)cc1C1OCC(C)(C)NC1C
InChIInChI=1S/C14H20ClNO2/c1-9-13(18-8-14(2,3)16-9)11-7-10(15)5-6-12(11)17-4/h5-7,9,13,16H,8H2,1-4H3
InChIKeyKGIFRWZUYIWCIB-UHFFFAOYSA-N
MW269.77 g/mol
LogP3.18
Rot. Bonds2

About 2-(5-chloro-2-methoxyphenyl)-3,5,5-trimethylmorpholine

2-(5-chloro-2-methoxyphenyl)-3,5,5-trimethylmorpholine (PubChem CID 82305740) has the molecular formula C14H20ClNO2 and a molecular weight of 269.77 g/mol. Its IUPAC name is 2-(5-chloro-2-methoxyphenyl)-3,5,5-trimethylmorpholine.

Molecular Properties

Compound Name2-(5-chloro-2-methoxyphenyl)-3,5,5-trimethylmorpholine
PubChem CID82305740
Molecular FormulaC14H20ClNO2
Molecular Weight269.77 g/mol
Exact Mass269.12
IUPAC Name2-(5-chloro-2-methoxyphenyl)-3,5,5-trimethylmorpholine
SMILESCOc1ccc(Cl)cc1C1OCC(C)(C)NC1C
InChIInChI=1S/C14H20ClNO2/c1-9-13(18-8-14(2,3)16-9)11-7-10(15)5-6-12(11)17-4/h5-7,9,13,16H,8H2,1-4H3
InChIKeyKGIFRWZUYIWCIB-UHFFFAOYSA-N
XLogP3.18
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.77
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-fluoro-4-methoxyphenyl)-3,5,5-trimethylmorpholine
CID 82298475
2-(3-chlorophenyl)-3,5,5-trimethylmorpholine
CID 43366940
2-(5-chloro-2-methoxyphenyl)oxirane
CID 82075180
2-(2-methoxyphenyl)-4,4-dimethyl-1,3-oxazolidine
CID 82112973
(2R)-2-(5-chloro-2-methoxyphenyl)azetidine
CID 130700995
2-(6-methoxynaphthalen-2-yl)-3,5,5-trimethylmorpholine;hydrochloride
CID 141261152
2-(5-chloro-2-methoxyphenyl)-4-methylazetidine
CID 116821949
CID 161270720
CID 161270720
3,5,5-trimethyl-2-(1H-pyrrol-3-yl)morpholine
CID 82281826
4-(5-chloro-2-methoxyphenyl)-1,3-oxazolidine
CID 175424496
4-chloro-2-cyclohexyl-1-methoxybenzene
CID 71228183
4-(5-chloro-2-methoxyphenyl)-1-(oxan-4-ylmethyl)piperidine
CID 58771940

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-methoxyphenyl)-3,5,5-trimethylmorpholine?
The IUPAC name of 2-(5-chloro-2-methoxyphenyl)-3,5,5-trimethylmorpholine (CID 82305740) is 2-(5-chloro-2-methoxyphenyl)-3,5,5-trimethylmorpholine.
What is the SMILES notation for 2-(5-chloro-2-methoxyphenyl)-3,5,5-trimethylmorpholine?
The canonical SMILES for 2-(5-chloro-2-methoxyphenyl)-3,5,5-trimethylmorpholine is COc1ccc(Cl)cc1C1OCC(C)(C)NC1C.
What is the InChIKey of 2-(5-chloro-2-methoxyphenyl)-3,5,5-trimethylmorpholine?
The InChIKey is KGIFRWZUYIWCIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO2/c1-9-13(18-8-14(2,3)16-9)11-7-10(15)5-6-12(11)17-4/h5-7,9,13,16H,8H2,1-4H3.
What are the key properties of 2-(5-chloro-2-methoxyphenyl)-3,5,5-trimethylmorpholine?
2-(5-chloro-2-methoxyphenyl)-3,5,5-trimethylmorpholine has a molecular weight of 269.77 g/mol, XLogP of 3.18, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2-methoxyphenyl)-3,5,5-trimethylmorpholine is sourced from PubChem (CID 82305740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).