(2S,6S)-4-[4-(3-chlorophenoxy)butyl]-2,6-dimethylmorpholine

C16H24ClNO2 — CID 2182958

IUPAC(2S,6S)-4-[4-(3-chlorophenoxy)butyl]-2,6-dimethylmorpholine
SMILESC[C@H]1CN(CCCCOc2cccc(Cl)c2)C[C@H](C)O1
InChIInChI=1S/C16H24ClNO2/c1-13-11-18(12-14(2)20-13)8-3-4-9-19-16-7-5-6-15(17)10-16/h5-7,10,13-14H,3-4,8-9,11-12H2,1-2H3/t13-,14-/m0/s1
InChIKeyWPIVZRDEHDUZOB-KBPBESRZSA-N
MW297.83 g/mol
LogP3.61
Rot. Bonds6

About (2S,6S)-4-[4-(3-chlorophenoxy)butyl]-2,6-dimethylmorpholine

(2S,6S)-4-[4-(3-chlorophenoxy)butyl]-2,6-dimethylmorpholine (PubChem CID 2182958) has the molecular formula C16H24ClNO2 and a molecular weight of 297.83 g/mol. Its IUPAC name is (2S,6S)-4-[4-(3-chlorophenoxy)butyl]-2,6-dimethylmorpholine.

Molecular Properties

Compound Name(2S,6S)-4-[4-(3-chlorophenoxy)butyl]-2,6-dimethylmorpholine
PubChem CID2182958
Molecular FormulaC16H24ClNO2
Molecular Weight297.83 g/mol
Exact Mass297.15
IUPAC Name(2S,6S)-4-[4-(3-chlorophenoxy)butyl]-2,6-dimethylmorpholine
SMILESC[C@H]1CN(CCCCOc2cccc(Cl)c2)C[C@H](C)O1
InChIInChI=1S/C16H24ClNO2/c1-13-11-18(12-14(2)20-13)8-3-4-9-19-16-7-5-6-15(17)10-16/h5-7,10,13-14H,3-4,8-9,11-12H2,1-2H3/t13-,14-/m0/s1
InChIKeyWPIVZRDEHDUZOB-KBPBESRZSA-N
XLogP3.61
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.83
LogP ≤ 53.61
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

[4-[2-(3-chlorophenoxy)ethyl]-6-methylmorpholin-2-yl]methanol
CID 102935770
3-[3-(2,6-dimethylmorpholin-4-yl)propoxy]aniline
CID 43365509
(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
(2R,6S)-2,6-dimethyl-4-[2-(3-methylphenoxy)ethyl]morpholine
CID 51970005
(2R,6S)-2,6-dimethyl-4-[2-(3-propoxyphenoxy)ethyl]morpholine
CID 7394222
(2R,6R)-2,6-dimethyl-4-[2-(3-propan-2-yloxyphenoxy)ethyl]morpholine
CID 7379895
4-[2-(3-ethoxyphenoxy)ethyl]-2,6-dimethylmorpholine;oxalic acid
CID 2934905
4-[3-(3-ethylphenoxy)propyl]-2,6-dimethylmorpholine;oxalic acid
CID 2935433
(2S,6R)-2,6-dimethyl-4-[4-(4-propan-2-ylphenoxy)butyl]morpholine
CID 2182392
(2S,6S)-4-[4-(4-iodophenoxy)butyl]-2,6-dimethylmorpholine
CID 2182517
1-[6-(3-chlorophenoxy)hexyl]azepane
CID 127038677

Frequently Asked Questions

What is the IUPAC name of (2S,6S)-4-[4-(3-chlorophenoxy)butyl]-2,6-dimethylmorpholine?
The IUPAC name of (2S,6S)-4-[4-(3-chlorophenoxy)butyl]-2,6-dimethylmorpholine (CID 2182958) is (2S,6S)-4-[4-(3-chlorophenoxy)butyl]-2,6-dimethylmorpholine.
What is the SMILES notation for (2S,6S)-4-[4-(3-chlorophenoxy)butyl]-2,6-dimethylmorpholine?
The canonical SMILES for (2S,6S)-4-[4-(3-chlorophenoxy)butyl]-2,6-dimethylmorpholine is C[C@H]1CN(CCCCOc2cccc(Cl)c2)C[C@H](C)O1.
What is the InChIKey of (2S,6S)-4-[4-(3-chlorophenoxy)butyl]-2,6-dimethylmorpholine?
The InChIKey is WPIVZRDEHDUZOB-KBPBESRZSA-N. The full InChI is InChI=1S/C16H24ClNO2/c1-13-11-18(12-14(2)20-13)8-3-4-9-19-16-7-5-6-15(17)10-16/h5-7,10,13-14H,3-4,8-9,11-12H2,1-2H3/t13-,14-/m0/s1.
What are the key properties of (2S,6S)-4-[4-(3-chlorophenoxy)butyl]-2,6-dimethylmorpholine?
(2S,6S)-4-[4-(3-chlorophenoxy)butyl]-2,6-dimethylmorpholine has a molecular weight of 297.83 g/mol, XLogP of 3.61, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,6S)-4-[4-(3-chlorophenoxy)butyl]-2,6-dimethylmorpholine is sourced from PubChem (CID 2182958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).