4-[3-(4-bromo-2-chlorophenoxy)propyl]-2,6-dimethylmorpholine

C15H21BrClNO2 — CID 2935526

IUPAC4-[3-(4-bromo-2-chlorophenoxy)propyl]-2,6-dimethylmorpholine
SMILESCC1CN(CCCOc2ccc(Br)cc2Cl)CC(C)O1
InChIInChI=1S/C15H21BrClNO2/c1-11-9-18(10-12(2)20-11)6-3-7-19-15-5-4-13(16)8-14(15)17/h4-5,8,11-12H,3,6-7,9-10H2,1-2H3
InChIKeyCRJHFZBEQQKMED-UHFFFAOYSA-N
MW362.70 g/mol
LogP3.98
Rot. Bonds5

About 4-[3-(4-bromo-2-chlorophenoxy)propyl]-2,6-dimethylmorpholine

4-[3-(4-bromo-2-chlorophenoxy)propyl]-2,6-dimethylmorpholine (PubChem CID 2935526) has the molecular formula C15H21BrClNO2 and a molecular weight of 362.70 g/mol. Its IUPAC name is 4-[3-(4-bromo-2-chlorophenoxy)propyl]-2,6-dimethylmorpholine.

Molecular Properties

Compound Name4-[3-(4-bromo-2-chlorophenoxy)propyl]-2,6-dimethylmorpholine
PubChem CID2935526
Molecular FormulaC15H21BrClNO2
Molecular Weight362.70 g/mol
Exact Mass361.04
IUPAC Name4-[3-(4-bromo-2-chlorophenoxy)propyl]-2,6-dimethylmorpholine
SMILESCC1CN(CCCOc2ccc(Br)cc2Cl)CC(C)O1
InChIInChI=1S/C15H21BrClNO2/c1-11-9-18(10-12(2)20-11)6-3-7-19-15-5-4-13(16)8-14(15)17/h4-5,8,11-12H,3,6-7,9-10H2,1-2H3
InChIKeyCRJHFZBEQQKMED-UHFFFAOYSA-N
XLogP3.98
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.70
LogP ≤ 53.98
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,6S)-4-[2-(4-bromo-2-methylphenoxy)ethyl]-2,6-dimethylmorpholine
CID 888409
(2R,6R)-4-[2-(4-bromo-2-methylphenoxy)ethyl]-2,6-dimethylmorpholine
CID 888410
(2S,6S)-4-[3-(2,5-dichlorophenoxy)propyl]-2,6-dimethylmorpholine
CID 2182592
4-[2-(4-bromo-2-methylphenoxy)ethyl]-2,6-dimethylmorpholine
CID 2936182
(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
(3S,5S)-1-[3-(4-bromo-2-methylphenoxy)propyl]-3,5-dimethylpiperidine
CID 2184296
(2S,6R)-4-[3-(4-chloro-3-ethylphenoxy)propyl]-2,6-dimethylmorpholine
CID 2182939
1-[3-(4-bromo-2-chlorophenoxy)propyl]piperidine;oxalic acid
CID 2924033
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
4-[4-(2-bromophenoxy)butyl]-2,6-dimethylmorpholine;oxalic acid
CID 2934524

Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-bromo-2-chlorophenoxy)propyl]-2,6-dimethylmorpholine?
The IUPAC name of 4-[3-(4-bromo-2-chlorophenoxy)propyl]-2,6-dimethylmorpholine (CID 2935526) is 4-[3-(4-bromo-2-chlorophenoxy)propyl]-2,6-dimethylmorpholine.
What is the SMILES notation for 4-[3-(4-bromo-2-chlorophenoxy)propyl]-2,6-dimethylmorpholine?
The canonical SMILES for 4-[3-(4-bromo-2-chlorophenoxy)propyl]-2,6-dimethylmorpholine is CC1CN(CCCOc2ccc(Br)cc2Cl)CC(C)O1.
What is the InChIKey of 4-[3-(4-bromo-2-chlorophenoxy)propyl]-2,6-dimethylmorpholine?
The InChIKey is CRJHFZBEQQKMED-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrClNO2/c1-11-9-18(10-12(2)20-11)6-3-7-19-15-5-4-13(16)8-14(15)17/h4-5,8,11-12H,3,6-7,9-10H2,1-2H3.
What are the key properties of 4-[3-(4-bromo-2-chlorophenoxy)propyl]-2,6-dimethylmorpholine?
4-[3-(4-bromo-2-chlorophenoxy)propyl]-2,6-dimethylmorpholine has a molecular weight of 362.70 g/mol, XLogP of 3.98, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-bromo-2-chlorophenoxy)propyl]-2,6-dimethylmorpholine is sourced from PubChem (CID 2935526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).