5-[2-(4-chlorophenyl)ethyl]-3,3-dimethylmorpholine

C14H20ClNO — CID 82298646

IUPAC5-[2-(4-chlorophenyl)ethyl]-3,3-dimethylmorpholine
SMILESCC1(C)COCC(CCc2ccc(Cl)cc2)N1
InChIInChI=1S/C14H20ClNO/c1-14(2)10-17-9-13(16-14)8-5-11-3-6-12(15)7-4-11/h3-4,6-7,13,16H,5,8-10H2,1-2H3
InChIKeyIKSOXFOLMZYVAU-UHFFFAOYSA-N
MW253.77 g/mol
LogP3.04
Rot. Bonds3

About 5-[2-(4-chlorophenyl)ethyl]-3,3-dimethylmorpholine

5-[2-(4-chlorophenyl)ethyl]-3,3-dimethylmorpholine (PubChem CID 82298646) has the molecular formula C14H20ClNO and a molecular weight of 253.77 g/mol. Its IUPAC name is 5-[2-(4-chlorophenyl)ethyl]-3,3-dimethylmorpholine.

Molecular Properties

Compound Name5-[2-(4-chlorophenyl)ethyl]-3,3-dimethylmorpholine
PubChem CID82298646
Molecular FormulaC14H20ClNO
Molecular Weight253.77 g/mol
Exact Mass253.12
IUPAC Name5-[2-(4-chlorophenyl)ethyl]-3,3-dimethylmorpholine
SMILESCC1(C)COCC(CCc2ccc(Cl)cc2)N1
InChIInChI=1S/C14H20ClNO/c1-14(2)10-17-9-13(16-14)8-5-11-3-6-12(15)7-4-11/h3-4,6-7,13,16H,5,8-10H2,1-2H3
InChIKeyIKSOXFOLMZYVAU-UHFFFAOYSA-N
XLogP3.04
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.77
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(4-chlorophenyl)ethyl]-3,3-dimethylmorpholine?
The IUPAC name of 5-[2-(4-chlorophenyl)ethyl]-3,3-dimethylmorpholine (CID 82298646) is 5-[2-(4-chlorophenyl)ethyl]-3,3-dimethylmorpholine.
What is the SMILES notation for 5-[2-(4-chlorophenyl)ethyl]-3,3-dimethylmorpholine?
The canonical SMILES for 5-[2-(4-chlorophenyl)ethyl]-3,3-dimethylmorpholine is CC1(C)COCC(CCc2ccc(Cl)cc2)N1.
What is the InChIKey of 5-[2-(4-chlorophenyl)ethyl]-3,3-dimethylmorpholine?
The InChIKey is IKSOXFOLMZYVAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO/c1-14(2)10-17-9-13(16-14)8-5-11-3-6-12(15)7-4-11/h3-4,6-7,13,16H,5,8-10H2,1-2H3.
What are the key properties of 5-[2-(4-chlorophenyl)ethyl]-3,3-dimethylmorpholine?
5-[2-(4-chlorophenyl)ethyl]-3,3-dimethylmorpholine has a molecular weight of 253.77 g/mol, XLogP of 3.04, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(4-chlorophenyl)ethyl]-3,3-dimethylmorpholine is sourced from PubChem (CID 82298646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).