2-(3-chlorophenyl)-3,5,5-trimethylmorpholine

C13H18ClNO — CID 43366940

IUPAC2-(3-chlorophenyl)-3,5,5-trimethylmorpholine
SMILESCC1NC(C)(C)COC1c1cccc(Cl)c1
InChIInChI=1S/C13H18ClNO/c1-9-12(16-8-13(2,3)15-9)10-5-4-6-11(14)7-10/h4-7,9,12,15H,8H2,1-3H3
InChIKeyKLPHSXVQSDRPPX-UHFFFAOYSA-N
MW239.75 g/mol
LogP3.17
Rot. Bonds1

About 2-(3-chlorophenyl)-3,5,5-trimethylmorpholine

2-(3-chlorophenyl)-3,5,5-trimethylmorpholine (PubChem CID 43366940) has the molecular formula C13H18ClNO and a molecular weight of 239.75 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-3,5,5-trimethylmorpholine.

Molecular Properties

Compound Name2-(3-chlorophenyl)-3,5,5-trimethylmorpholine
PubChem CID43366940
Molecular FormulaC13H18ClNO
Molecular Weight239.75 g/mol
Exact Mass239.11
IUPAC Name2-(3-chlorophenyl)-3,5,5-trimethylmorpholine
SMILESCC1NC(C)(C)COC1c1cccc(Cl)c1
InChIInChI=1S/C13H18ClNO/c1-9-12(16-8-13(2,3)15-9)10-5-4-6-11(14)7-10/h4-7,9,12,15H,8H2,1-3H3
InChIKeyKLPHSXVQSDRPPX-UHFFFAOYSA-N
XLogP3.17
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.75
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3-chlorophenyl)-2,9-dimethyl-4-oxa-1-azaspiro[5.5]undecane
CID 62527338
9-(3-chlorophenyl)-10-methyl-8-oxa-11-azaspiro[5.6]dodecane
CID 103968911
(2S,3S)-2-(3-chlorophenyl)-3,4,5,5-tetramethylmorpholine
CID 51349597
2-(5-chloro-2-methoxyphenyl)-3,5,5-trimethylmorpholine
CID 82305740
3,5,5-trimethyl-2-(1H-pyrrol-3-yl)morpholine
CID 82281826
2-(3-fluoro-4-methoxyphenyl)-3,5,5-trimethylmorpholine
CID 82298475
(4S,5S)-5-(3-chlorophenyl)-4-methyl-1,3-oxazolidin-2-one
CID 134527726
(2S,3S)-5,5-dimethyl-2,3-diphenylmorpholine
CID 10539775
5,5-dimethyl-2,3-diphenylmorpholine
CID 43174722
(2R,3S)-2-(3-chlorophenyl)-3-methyloxirane
CID 30122314
6-(3-chlorophenyl)-2,5-dimethyl-2-propylmorpholine
CID 114169389
6-chloro-2-(3-chlorophenyl)-7-fluoro-3-methyl-3,4-dihydro-2H-1,4-benzoxazine
CID 82720778

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-3,5,5-trimethylmorpholine?
The IUPAC name of 2-(3-chlorophenyl)-3,5,5-trimethylmorpholine (CID 43366940) is 2-(3-chlorophenyl)-3,5,5-trimethylmorpholine.
What is the SMILES notation for 2-(3-chlorophenyl)-3,5,5-trimethylmorpholine?
The canonical SMILES for 2-(3-chlorophenyl)-3,5,5-trimethylmorpholine is CC1NC(C)(C)COC1c1cccc(Cl)c1.
What is the InChIKey of 2-(3-chlorophenyl)-3,5,5-trimethylmorpholine?
The InChIKey is KLPHSXVQSDRPPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO/c1-9-12(16-8-13(2,3)15-9)10-5-4-6-11(14)7-10/h4-7,9,12,15H,8H2,1-3H3.
What are the key properties of 2-(3-chlorophenyl)-3,5,5-trimethylmorpholine?
2-(3-chlorophenyl)-3,5,5-trimethylmorpholine has a molecular weight of 239.75 g/mol, XLogP of 3.17, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-3,5,5-trimethylmorpholine is sourced from PubChem (CID 43366940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).