(2R,6R)-4-[4-(2-chloro-5-methylphenoxy)butyl]-2,6-dimethylmorpholine

C17H26ClNO2 — CID 2182666

IUPAC(2R,6R)-4-[4-(2-chloro-5-methylphenoxy)butyl]-2,6-dimethylmorpholine
SMILESCc1ccc(Cl)c(OCCCCN2C[C@@H](C)O[C@H](C)C2)c1
InChIInChI=1S/C17H26ClNO2/c1-13-6-7-16(18)17(10-13)20-9-5-4-8-19-11-14(2)21-15(3)12-19/h6-7,10,14-15H,4-5,8-9,11-12H2,1-3H3/t14-,15-/m1/s1
InChIKeyMOVOREHDXHWCSR-HUUCEWRRSA-N
MW311.85 g/mol
LogP3.92
Rot. Bonds6

About (2R,6R)-4-[4-(2-chloro-5-methylphenoxy)butyl]-2,6-dimethylmorpholine

(2R,6R)-4-[4-(2-chloro-5-methylphenoxy)butyl]-2,6-dimethylmorpholine (PubChem CID 2182666) has the molecular formula C17H26ClNO2 and a molecular weight of 311.85 g/mol. Its IUPAC name is (2R,6R)-4-[4-(2-chloro-5-methylphenoxy)butyl]-2,6-dimethylmorpholine.

Molecular Properties

Compound Name(2R,6R)-4-[4-(2-chloro-5-methylphenoxy)butyl]-2,6-dimethylmorpholine
PubChem CID2182666
Molecular FormulaC17H26ClNO2
Molecular Weight311.85 g/mol
Exact Mass311.17
IUPAC Name(2R,6R)-4-[4-(2-chloro-5-methylphenoxy)butyl]-2,6-dimethylmorpholine
SMILESCc1ccc(Cl)c(OCCCCN2C[C@@H](C)O[C@H](C)C2)c1
InChIInChI=1S/C17H26ClNO2/c1-13-6-7-16(18)17(10-13)20-9-5-4-8-19-11-14(2)21-15(3)12-19/h6-7,10,14-15H,4-5,8-9,11-12H2,1-3H3/t14-,15-/m1/s1
InChIKeyMOVOREHDXHWCSR-HUUCEWRRSA-N
XLogP3.92
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.85
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2S,6S)-4-[3-(2,5-dichlorophenoxy)propyl]-2,6-dimethylmorpholine
CID 2182592
4-[4-(4-chloro-2,3-dimethylphenoxy)butyl]-2,6-dimethylmorpholine;oxalic acid
CID 2934960
4-[3-(4-bromo-2-chlorophenoxy)propyl]-2,6-dimethylmorpholine
CID 2935526
(2S,6R)-4-[2-(2-methoxy-4-methylphenoxy)ethyl]-2,6-dimethylmorpholine
CID 887366
(3R)-1-[3-(2-chloro-5-methylphenoxy)propyl]-3-methylpiperidine
CID 2181266
4-[2-[2-(4-chloro-2,3-dimethylphenoxy)ethoxy]ethyl]-2,6-dimethylmorpholine
CID 2934947
(2R,6R)-4-[4-(2-methoxyphenoxy)butyl]-2,6-dimethylmorpholine
CID 2582416
(2S,6S)-4-[4-(3-chlorophenoxy)butyl]-2,6-dimethylmorpholine
CID 2182958
(2R,6R)-4-[4-(3,4-dimethylphenoxy)butyl]-2,6-dimethylmorpholine
CID 2184552
(2R,6R)-4-[2-[2-(2-chloro-5-methylphenoxy)ethoxy]ethyl]-2,6-dimethylmorpholin-4-ium
CID 2181771
(2S,6R)-4-[3-(4-chloro-3-ethylphenoxy)propyl]-2,6-dimethylmorpholine
CID 2182939
(2R,6R)-4-[2-[2-(2-tert-butyl-4-methylphenoxy)ethoxy]ethyl]-2,6-dimethylmorpholine
CID 2183742

Frequently Asked Questions

What is the IUPAC name of (2R,6R)-4-[4-(2-chloro-5-methylphenoxy)butyl]-2,6-dimethylmorpholine?
The IUPAC name of (2R,6R)-4-[4-(2-chloro-5-methylphenoxy)butyl]-2,6-dimethylmorpholine (CID 2182666) is (2R,6R)-4-[4-(2-chloro-5-methylphenoxy)butyl]-2,6-dimethylmorpholine.
What is the SMILES notation for (2R,6R)-4-[4-(2-chloro-5-methylphenoxy)butyl]-2,6-dimethylmorpholine?
The canonical SMILES for (2R,6R)-4-[4-(2-chloro-5-methylphenoxy)butyl]-2,6-dimethylmorpholine is Cc1ccc(Cl)c(OCCCCN2C[C@@H](C)O[C@H](C)C2)c1.
What is the InChIKey of (2R,6R)-4-[4-(2-chloro-5-methylphenoxy)butyl]-2,6-dimethylmorpholine?
The InChIKey is MOVOREHDXHWCSR-HUUCEWRRSA-N. The full InChI is InChI=1S/C17H26ClNO2/c1-13-6-7-16(18)17(10-13)20-9-5-4-8-19-11-14(2)21-15(3)12-19/h6-7,10,14-15H,4-5,8-9,11-12H2,1-3H3/t14-,15-/m1/s1.
What are the key properties of (2R,6R)-4-[4-(2-chloro-5-methylphenoxy)butyl]-2,6-dimethylmorpholine?
(2R,6R)-4-[4-(2-chloro-5-methylphenoxy)butyl]-2,6-dimethylmorpholine has a molecular weight of 311.85 g/mol, XLogP of 3.92, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,6R)-4-[4-(2-chloro-5-methylphenoxy)butyl]-2,6-dimethylmorpholine is sourced from PubChem (CID 2182666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).