4-[2-chloro-2-(2-methoxyphenyl)ethyl]-2,6-dimethylmorpholine

C15H22ClNO2 — CID 82215121

IUPAC4-[2-chloro-2-(2-methoxyphenyl)ethyl]-2,6-dimethylmorpholine
SMILESCOc1ccccc1C(Cl)CN1CC(C)OC(C)C1
InChIInChI=1S/C15H22ClNO2/c1-11-8-17(9-12(2)19-11)10-14(16)13-6-4-5-7-15(13)18-3/h4-7,11-12,14H,8-10H2,1-3H3
InChIKeyPLTSDDLPHROINS-UHFFFAOYSA-N
MW283.80 g/mol
LogP3.08
Rot. Bonds4

About 4-[2-chloro-2-(2-methoxyphenyl)ethyl]-2,6-dimethylmorpholine

4-[2-chloro-2-(2-methoxyphenyl)ethyl]-2,6-dimethylmorpholine (PubChem CID 82215121) has the molecular formula C15H22ClNO2 and a molecular weight of 283.80 g/mol. Its IUPAC name is 4-[2-chloro-2-(2-methoxyphenyl)ethyl]-2,6-dimethylmorpholine.

Molecular Properties

Compound Name4-[2-chloro-2-(2-methoxyphenyl)ethyl]-2,6-dimethylmorpholine
PubChem CID82215121
Molecular FormulaC15H22ClNO2
Molecular Weight283.80 g/mol
Exact Mass283.13
IUPAC Name4-[2-chloro-2-(2-methoxyphenyl)ethyl]-2,6-dimethylmorpholine
SMILESCOc1ccccc1C(Cl)CN1CC(C)OC(C)C1
InChIInChI=1S/C15H22ClNO2/c1-11-8-17(9-12(2)19-11)10-14(16)13-6-4-5-7-15(13)18-3/h4-7,11-12,14H,8-10H2,1-3H3
InChIKeyPLTSDDLPHROINS-UHFFFAOYSA-N
XLogP3.08
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.80
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

(2S,6S)-4-[(2-methoxyphenyl)methyl]-2,6-dimethylmorpholine
CID 6937591
(2R)-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-(2-methoxyphenyl)ethanamine
CID 30118002
1-[2-chloro-2-(2-ethoxyphenyl)ethyl]-3,5-dimethylpiperidine
CID 82215146
1-(2,6-dimethoxyphenoxy)-3-(2,6-dimethylmorpholin-4-yl)propan-2-ol
CID 3530693
(2S)-1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-(2-propan-2-ylphenoxy)propan-2-ol
CID 7125674
(2R,6R)-4-[4-(2-methoxyphenoxy)butyl]-2,6-dimethylmorpholine
CID 2582416
2-(2,6-dimethylmorpholin-4-yl)-2-(2-methoxyphenyl)acetic acid
CID 84746481
1-(2-chlorophenoxy)-3-(2,6-dimethylmorpholin-4-yl)propan-2-ol;hydrochloride
CID 16807392
(2S)-1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-3-(2-methylphenoxy)propan-2-ol
CID 7150363
(2S,6S)-4-[3-(2,6-dimethoxyphenoxy)propyl]-2,6-dimethylmorpholine
CID 2181813
(2R,6R)-4-[3-(2,6-dimethoxyphenoxy)propyl]-2,6-dimethylmorpholine
CID 2181811
N-ethyl-1-(2-methoxyphenyl)-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethanamine
CID 66392876

Frequently Asked Questions

What is the IUPAC name of 4-[2-chloro-2-(2-methoxyphenyl)ethyl]-2,6-dimethylmorpholine?
The IUPAC name of 4-[2-chloro-2-(2-methoxyphenyl)ethyl]-2,6-dimethylmorpholine (CID 82215121) is 4-[2-chloro-2-(2-methoxyphenyl)ethyl]-2,6-dimethylmorpholine.
What is the SMILES notation for 4-[2-chloro-2-(2-methoxyphenyl)ethyl]-2,6-dimethylmorpholine?
The canonical SMILES for 4-[2-chloro-2-(2-methoxyphenyl)ethyl]-2,6-dimethylmorpholine is COc1ccccc1C(Cl)CN1CC(C)OC(C)C1.
What is the InChIKey of 4-[2-chloro-2-(2-methoxyphenyl)ethyl]-2,6-dimethylmorpholine?
The InChIKey is PLTSDDLPHROINS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClNO2/c1-11-8-17(9-12(2)19-11)10-14(16)13-6-4-5-7-15(13)18-3/h4-7,11-12,14H,8-10H2,1-3H3.
What are the key properties of 4-[2-chloro-2-(2-methoxyphenyl)ethyl]-2,6-dimethylmorpholine?
4-[2-chloro-2-(2-methoxyphenyl)ethyl]-2,6-dimethylmorpholine has a molecular weight of 283.80 g/mol, XLogP of 3.08, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-chloro-2-(2-methoxyphenyl)ethyl]-2,6-dimethylmorpholine is sourced from PubChem (CID 82215121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).