(2S,6R)-4-[3-(4-chloro-3-ethylphenoxy)propyl]-2,6-dimethylmorpholine

C17H26ClNO2 — CID 2182939

IUPAC(2S,6R)-4-[3-(4-chloro-3-ethylphenoxy)propyl]-2,6-dimethylmorpholine
SMILESCCc1cc(OCCCN2C[C@@H](C)O[C@@H](C)C2)ccc1Cl
InChIInChI=1S/C17H26ClNO2/c1-4-15-10-16(6-7-17(15)18)20-9-5-8-19-11-13(2)21-14(3)12-19/h6-7,10,13-14H,4-5,8-9,11-12H2,1-3H3/t13-,14+
InChIKeyYGPXOYRAXDAZHM-OKILXGFUSA-N
MW311.85 g/mol
LogP3.78
Rot. Bonds6

About (2S,6R)-4-[3-(4-chloro-3-ethylphenoxy)propyl]-2,6-dimethylmorpholine

(2S,6R)-4-[3-(4-chloro-3-ethylphenoxy)propyl]-2,6-dimethylmorpholine (PubChem CID 2182939) has the molecular formula C17H26ClNO2 and a molecular weight of 311.85 g/mol. Its IUPAC name is (2S,6R)-4-[3-(4-chloro-3-ethylphenoxy)propyl]-2,6-dimethylmorpholine.

Molecular Properties

Compound Name(2S,6R)-4-[3-(4-chloro-3-ethylphenoxy)propyl]-2,6-dimethylmorpholine
PubChem CID2182939
Molecular FormulaC17H26ClNO2
Molecular Weight311.85 g/mol
Exact Mass311.17
IUPAC Name(2S,6R)-4-[3-(4-chloro-3-ethylphenoxy)propyl]-2,6-dimethylmorpholine
SMILESCCc1cc(OCCCN2C[C@@H](C)O[C@@H](C)C2)ccc1Cl
InChIInChI=1S/C17H26ClNO2/c1-4-15-10-16(6-7-17(15)18)20-9-5-8-19-11-13(2)21-14(3)12-19/h6-7,10,13-14H,4-5,8-9,11-12H2,1-3H3/t13-,14+
InChIKeyYGPXOYRAXDAZHM-OKILXGFUSA-N
XLogP3.78
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 ≤ 53.78
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

1-[3-(4-chloro-3-ethylphenoxy)propyl]-3-methylpiperidine
CID 2935991
4-[3-(2,3-dihydro-1H-inden-5-yloxy)propyl]-2,6-dimethylmorpholine
CID 2993602
4-[3-(2,3-dihydro-1H-inden-5-yloxy)propyl]-2,6-dimethylmorpholine;hydrochloride
CID 2993601
(2S,6S)-4-[3-(2,5-dichlorophenoxy)propyl]-2,6-dimethylmorpholine
CID 2182592
(2S,6S)-4-[4-(3-chlorophenoxy)butyl]-2,6-dimethylmorpholine
CID 2182958
4-[3-(3-ethylphenoxy)propyl]-2,6-dimethylmorpholine;oxalic acid
CID 2935433
(2R,6R)-4-[4-(3,4-dimethylphenoxy)butyl]-2,6-dimethylmorpholine
CID 2184552
4-[4-(4-chlorophenoxy)butyl]-2,6-dimethylmorpholine;oxalic acid
CID 2922949
3-[3-(2,6-dimethylmorpholin-4-yl)propoxy]aniline
CID 43365509
1-[4-[3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propoxy]phenyl]ethanone
CID 7380535
4-[3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]propoxy]benzonitrile
CID 7380226
1-[2-(4-chloro-3-ethylphenoxy)ethyl]-4-ethylpiperazine
CID 973456

Frequently Asked Questions

What is the IUPAC name of (2S,6R)-4-[3-(4-chloro-3-ethylphenoxy)propyl]-2,6-dimethylmorpholine?
The IUPAC name of (2S,6R)-4-[3-(4-chloro-3-ethylphenoxy)propyl]-2,6-dimethylmorpholine (CID 2182939) is (2S,6R)-4-[3-(4-chloro-3-ethylphenoxy)propyl]-2,6-dimethylmorpholine.
What is the SMILES notation for (2S,6R)-4-[3-(4-chloro-3-ethylphenoxy)propyl]-2,6-dimethylmorpholine?
The canonical SMILES for (2S,6R)-4-[3-(4-chloro-3-ethylphenoxy)propyl]-2,6-dimethylmorpholine is CCc1cc(OCCCN2C[C@@H](C)O[C@@H](C)C2)ccc1Cl.
What is the InChIKey of (2S,6R)-4-[3-(4-chloro-3-ethylphenoxy)propyl]-2,6-dimethylmorpholine?
The InChIKey is YGPXOYRAXDAZHM-OKILXGFUSA-N. The full InChI is InChI=1S/C17H26ClNO2/c1-4-15-10-16(6-7-17(15)18)20-9-5-8-19-11-13(2)21-14(3)12-19/h6-7,10,13-14H,4-5,8-9,11-12H2,1-3H3/t13-,14+.
What are the key properties of (2S,6R)-4-[3-(4-chloro-3-ethylphenoxy)propyl]-2,6-dimethylmorpholine?
(2S,6R)-4-[3-(4-chloro-3-ethylphenoxy)propyl]-2,6-dimethylmorpholine has a molecular weight of 311.85 g/mol, XLogP of 3.78, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,6R)-4-[3-(4-chloro-3-ethylphenoxy)propyl]-2,6-dimethylmorpholine is sourced from PubChem (CID 2182939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).