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

C13H17BrClNO2 — CID 2995112

IUPAC4-[2-(2-bromo-4-chloro-6-methylphenoxy)ethyl]morpholine
SMILESCc1cc(Cl)cc(Br)c1OCCN1CCOCC1
InChIInChI=1S/C13H17BrClNO2/c1-10-8-11(15)9-12(14)13(10)18-7-4-16-2-5-17-6-3-16/h8-9H,2-7H2,1H3
InChIKeyCVMVDUGHXROGNX-UHFFFAOYSA-N
MW334.64 g/mol
LogP3.12
Rot. Bonds4

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

4-[2-(2-bromo-4-chloro-6-methylphenoxy)ethyl]morpholine (PubChem CID 2995112) has the molecular formula C13H17BrClNO2 and a molecular weight of 334.64 g/mol. Its IUPAC name is 4-[2-(2-bromo-4-chloro-6-methylphenoxy)ethyl]morpholine.

Molecular Properties

Compound Name4-[2-(2-bromo-4-chloro-6-methylphenoxy)ethyl]morpholine
PubChem CID2995112
Molecular FormulaC13H17BrClNO2
Molecular Weight334.64 g/mol
Exact Mass333.01
IUPAC Name4-[2-(2-bromo-4-chloro-6-methylphenoxy)ethyl]morpholine
SMILESCc1cc(Cl)cc(Br)c1OCCN1CCOCC1
InChIInChI=1S/C13H17BrClNO2/c1-10-8-11(15)9-12(14)13(10)18-7-4-16-2-5-17-6-3-16/h8-9H,2-7H2,1H3
InChIKeyCVMVDUGHXROGNX-UHFFFAOYSA-N
XLogP3.12
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.64
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-(4-chloro-2,6-dimethylphenoxy)ethyl]morpholine
CID 872206
4-[2-(2-chloro-4,6-dimethylphenoxy)ethyl]morpholine
CID 869403
4-[4-(2-bromo-6-chloro-4-methylphenoxy)butyl]morpholine
CID 2299958
4-[2-(2,6-dimethyl-4-propan-2-ylphenoxy)ethyl]morpholine
CID 20871910
1-[2-(2-bromo-4-chloro-6-fluorophenoxy)ethyl]azetidine
CID 171109307
3-bromo-5-ethoxy-4-(2-morpholin-4-ylethoxy)benzaldehyde
CID 22680018
4-[2-[2-(2-bromo-6-chloro-4-methylphenoxy)ethoxy]ethyl]morpholine;oxalic acid
CID 2924016
5-bromo-3-chloro-2-(2-morpholin-4-ylethoxy)benzenesulfonamide
CID 82913513
1-[5-chloro-3-methoxy-2-(2-morpholin-4-ylethoxy)phenyl]-N-methylmethanamine
CID 104664509
1-[2-(2-bromo-4-chloro-6-fluorophenoxy)ethyl]-4-methylpiperidine
CID 171109320
4-(2,4-dichloro-6-methylphenoxy)-N-(2-morpholin-4-ylethyl)butan-1-amine;oxalic acid
CID 2977574
3-bromo-5-methoxy-4-(2-morpholin-4-ylethoxy)benzenecarbothioamide
CID 20985116

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-bromo-4-chloro-6-methylphenoxy)ethyl]morpholine?
The IUPAC name of 4-[2-(2-bromo-4-chloro-6-methylphenoxy)ethyl]morpholine (CID 2995112) is 4-[2-(2-bromo-4-chloro-6-methylphenoxy)ethyl]morpholine.
What is the SMILES notation for 4-[2-(2-bromo-4-chloro-6-methylphenoxy)ethyl]morpholine?
The canonical SMILES for 4-[2-(2-bromo-4-chloro-6-methylphenoxy)ethyl]morpholine is Cc1cc(Cl)cc(Br)c1OCCN1CCOCC1.
What is the InChIKey of 4-[2-(2-bromo-4-chloro-6-methylphenoxy)ethyl]morpholine?
The InChIKey is CVMVDUGHXROGNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrClNO2/c1-10-8-11(15)9-12(14)13(10)18-7-4-16-2-5-17-6-3-16/h8-9H,2-7H2,1H3.
What are the key properties of 4-[2-(2-bromo-4-chloro-6-methylphenoxy)ethyl]morpholine?
4-[2-(2-bromo-4-chloro-6-methylphenoxy)ethyl]morpholine has a molecular weight of 334.64 g/mol, XLogP of 3.12, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-bromo-4-chloro-6-methylphenoxy)ethyl]morpholine is sourced from PubChem (CID 2995112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).