(2S,6S)-4-[3-(2,5-dichlorophenoxy)propyl]-2,6-dimethylmorpholine

C15H21Cl2NO2 — CID 2182592

IUPAC(2S,6S)-4-[3-(2,5-dichlorophenoxy)propyl]-2,6-dimethylmorpholine
SMILESC[C@H]1CN(CCCOc2cc(Cl)ccc2Cl)C[C@H](C)O1
InChIInChI=1S/C15H21Cl2NO2/c1-11-9-18(10-12(2)20-11)6-3-7-19-15-8-13(16)4-5-14(15)17/h4-5,8,11-12H,3,6-7,9-10H2,1-2H3/t11-,12-/m0/s1
InChIKeyLIKHRWUHHPZKIE-RYUDHWBXSA-N
MW318.24 g/mol
LogP3.87
Rot. Bonds5

About (2S,6S)-4-[3-(2,5-dichlorophenoxy)propyl]-2,6-dimethylmorpholine

(2S,6S)-4-[3-(2,5-dichlorophenoxy)propyl]-2,6-dimethylmorpholine (PubChem CID 2182592) has the molecular formula C15H21Cl2NO2 and a molecular weight of 318.24 g/mol. Its IUPAC name is (2S,6S)-4-[3-(2,5-dichlorophenoxy)propyl]-2,6-dimethylmorpholine.

Molecular Properties

Compound Name(2S,6S)-4-[3-(2,5-dichlorophenoxy)propyl]-2,6-dimethylmorpholine
PubChem CID2182592
Molecular FormulaC15H21Cl2NO2
Molecular Weight318.24 g/mol
Exact Mass317.09
IUPAC Name(2S,6S)-4-[3-(2,5-dichlorophenoxy)propyl]-2,6-dimethylmorpholine
SMILESC[C@H]1CN(CCCOc2cc(Cl)ccc2Cl)C[C@H](C)O1
InChIInChI=1S/C15H21Cl2NO2/c1-11-9-18(10-12(2)20-11)6-3-7-19-15-8-13(16)4-5-14(15)17/h4-5,8,11-12H,3,6-7,9-10H2,1-2H3/t11-,12-/m0/s1
InChIKeyLIKHRWUHHPZKIE-RYUDHWBXSA-N
XLogP3.87
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.24
LogP ≤ 53.87
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

(2R,6R)-4-[4-(2-chloro-5-methylphenoxy)butyl]-2,6-dimethylmorpholine
CID 2182666
4-[3-(2-tert-butyl-4-chlorophenoxy)propyl]-2,6-dimethylmorpholine
CID 2935442
4-[3-(4-bromo-2-chlorophenoxy)propyl]-2,6-dimethylmorpholine
CID 2935526
(2S,6R)-4-[3-(4-chloro-3-ethylphenoxy)propyl]-2,6-dimethylmorpholine
CID 2182939
(2S,6S)-4-[4-(3-chlorophenoxy)butyl]-2,6-dimethylmorpholine
CID 2182958
4-[2-[2-(4-chloro-2,3-dimethylphenoxy)ethoxy]ethyl]-2,6-dimethylmorpholine
CID 2934947
4-[4-(4-chloro-2,3-dimethylphenoxy)butyl]-2,6-dimethylmorpholine;oxalic acid
CID 2934960
1-[2-(2,5-dichlorophenoxy)ethyl]-4-methylpiperidine
CID 2364331
2,6-dimethyl-4-[3-(2-phenylphenoxy)propyl]morpholine
CID 2935512
4-[4-(4-chlorophenoxy)butyl]-2,6-dimethylmorpholine;oxalic acid
CID 2922949
4-[3-(4-chlorophenyl)sulfanylpropyl]-2,6-dimethylmorpholine
CID 2935352
(2R,6S)-2,6-dimethyl-4-[3-(2-prop-2-enoxyphenoxy)propyl]morpholine
CID 7379543

Frequently Asked Questions

What is the IUPAC name of (2S,6S)-4-[3-(2,5-dichlorophenoxy)propyl]-2,6-dimethylmorpholine?
The IUPAC name of (2S,6S)-4-[3-(2,5-dichlorophenoxy)propyl]-2,6-dimethylmorpholine (CID 2182592) is (2S,6S)-4-[3-(2,5-dichlorophenoxy)propyl]-2,6-dimethylmorpholine.
What is the SMILES notation for (2S,6S)-4-[3-(2,5-dichlorophenoxy)propyl]-2,6-dimethylmorpholine?
The canonical SMILES for (2S,6S)-4-[3-(2,5-dichlorophenoxy)propyl]-2,6-dimethylmorpholine is C[C@H]1CN(CCCOc2cc(Cl)ccc2Cl)C[C@H](C)O1.
What is the InChIKey of (2S,6S)-4-[3-(2,5-dichlorophenoxy)propyl]-2,6-dimethylmorpholine?
The InChIKey is LIKHRWUHHPZKIE-RYUDHWBXSA-N. The full InChI is InChI=1S/C15H21Cl2NO2/c1-11-9-18(10-12(2)20-11)6-3-7-19-15-8-13(16)4-5-14(15)17/h4-5,8,11-12H,3,6-7,9-10H2,1-2H3/t11-,12-/m0/s1.
What are the key properties of (2S,6S)-4-[3-(2,5-dichlorophenoxy)propyl]-2,6-dimethylmorpholine?
(2S,6S)-4-[3-(2,5-dichlorophenoxy)propyl]-2,6-dimethylmorpholine has a molecular weight of 318.24 g/mol, XLogP of 3.87, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,6S)-4-[3-(2,5-dichlorophenoxy)propyl]-2,6-dimethylmorpholine is sourced from PubChem (CID 2182592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).