4-[4-(2-bromo-6-chloro-4-methylphenoxy)butyl]morpholine

C15H21BrClNO2 — CID 2299958

IUPAC4-[4-(2-bromo-6-chloro-4-methylphenoxy)butyl]morpholine
SMILESCc1cc(Cl)c(OCCCCN2CCOCC2)c(Br)c1
InChIInChI=1S/C15H21BrClNO2/c1-12-10-13(16)15(14(17)11-12)20-7-3-2-4-18-5-8-19-9-6-18/h10-11H,2-9H2,1H3
InChIKeyVUOPKCFTFFSNPG-UHFFFAOYSA-N
MW362.70 g/mol
LogP3.90
Rot. Bonds6

About 4-[4-(2-bromo-6-chloro-4-methylphenoxy)butyl]morpholine

4-[4-(2-bromo-6-chloro-4-methylphenoxy)butyl]morpholine (PubChem CID 2299958) has the molecular formula C15H21BrClNO2 and a molecular weight of 362.70 g/mol. Its IUPAC name is 4-[4-(2-bromo-6-chloro-4-methylphenoxy)butyl]morpholine.

Molecular Properties

Compound Name4-[4-(2-bromo-6-chloro-4-methylphenoxy)butyl]morpholine
PubChem CID2299958
Molecular FormulaC15H21BrClNO2
Molecular Weight362.70 g/mol
Exact Mass361.04
IUPAC Name4-[4-(2-bromo-6-chloro-4-methylphenoxy)butyl]morpholine
SMILESCc1cc(Cl)c(OCCCCN2CCOCC2)c(Br)c1
InChIInChI=1S/C15H21BrClNO2/c1-12-10-13(16)15(14(17)11-12)20-7-3-2-4-18-5-8-19-9-6-18/h10-11H,2-9H2,1H3
InChIKeyVUOPKCFTFFSNPG-UHFFFAOYSA-N
XLogP3.90
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.70
LogP ≤ 53.90
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-[2-(2-bromo-6-chloro-4-methylphenoxy)ethoxy]ethyl]morpholine;oxalic acid
CID 2924016
1-[4-(2-bromo-6-chloro-4-methylphenoxy)butyl]-4-ethylpiperazine
CID 2961137
1-[3-(2-bromo-6-chloro-4-methylphenoxy)propyl]pyrrolidine
CID 2299454
4-[2-(2-chloro-4,6-dimethylphenoxy)ethyl]morpholine
CID 869403
1-[3-(2-bromo-6-chloro-4-methylphenoxy)propyl]piperazine;oxalic acid
CID 2944706
(3S,5S)-1-[3-(2-bromo-6-chloro-4-methylphenoxy)propyl]-3,5-dimethylpiperidine
CID 7412942
4-[2-(2-bromo-4-chloro-6-methylphenoxy)ethyl]morpholine
CID 2995112
5-bromo-3-chloro-2-(2-morpholin-4-ylethoxy)benzenesulfonamide
CID 82913513
1-[3-(2-chloro-4,6-dimethylphenoxy)propyl]piperidine
CID 2263039
4-[2-(4-chloro-2,6-dimethylphenoxy)ethyl]morpholine
CID 872206
4-[4-(2,5-dimethylphenoxy)butyl]morpholine
CID 2245898
4-(2-bromo-6-chloro-4-methylphenoxy)-N-(3-methoxypropyl)butan-1-amine
CID 2299297

Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-bromo-6-chloro-4-methylphenoxy)butyl]morpholine?
The IUPAC name of 4-[4-(2-bromo-6-chloro-4-methylphenoxy)butyl]morpholine (CID 2299958) is 4-[4-(2-bromo-6-chloro-4-methylphenoxy)butyl]morpholine.
What is the SMILES notation for 4-[4-(2-bromo-6-chloro-4-methylphenoxy)butyl]morpholine?
The canonical SMILES for 4-[4-(2-bromo-6-chloro-4-methylphenoxy)butyl]morpholine is Cc1cc(Cl)c(OCCCCN2CCOCC2)c(Br)c1.
What is the InChIKey of 4-[4-(2-bromo-6-chloro-4-methylphenoxy)butyl]morpholine?
The InChIKey is VUOPKCFTFFSNPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrClNO2/c1-12-10-13(16)15(14(17)11-12)20-7-3-2-4-18-5-8-19-9-6-18/h10-11H,2-9H2,1H3.
What are the key properties of 4-[4-(2-bromo-6-chloro-4-methylphenoxy)butyl]morpholine?
4-[4-(2-bromo-6-chloro-4-methylphenoxy)butyl]morpholine has a molecular weight of 362.70 g/mol, XLogP of 3.90, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-bromo-6-chloro-4-methylphenoxy)butyl]morpholine is sourced from PubChem (CID 2299958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).