4-[2-[2-(chloromethyl)phenoxy]ethyl]morpholine

C13H18ClNO2 — CID 18179953

IUPAC4-[2-[2-(chloromethyl)phenoxy]ethyl]morpholine
SMILESClCc1ccccc1OCCN1CCOCC1
InChIInChI=1S/C13H18ClNO2/c14-11-12-3-1-2-4-13(12)17-10-7-15-5-8-16-9-6-15/h1-4H,5-11H2
InChIKeyDUQJAUMBABDBKM-UHFFFAOYSA-N
MW255.74 g/mol
LogP2.14
Rot. Bonds5

About 4-[2-[2-(chloromethyl)phenoxy]ethyl]morpholine

4-[2-[2-(chloromethyl)phenoxy]ethyl]morpholine (PubChem CID 18179953) has the molecular formula C13H18ClNO2 and a molecular weight of 255.74 g/mol. Its IUPAC name is 4-[2-[2-(chloromethyl)phenoxy]ethyl]morpholine.

Molecular Properties

Compound Name4-[2-[2-(chloromethyl)phenoxy]ethyl]morpholine
PubChem CID18179953
Molecular FormulaC13H18ClNO2
Molecular Weight255.74 g/mol
Exact Mass255.10
IUPAC Name4-[2-[2-(chloromethyl)phenoxy]ethyl]morpholine
SMILESClCc1ccccc1OCCN1CCOCC1
InChIInChI=1S/C13H18ClNO2/c14-11-12-3-1-2-4-13(12)17-10-7-15-5-8-16-9-6-15/h1-4H,5-11H2
InChIKeyDUQJAUMBABDBKM-UHFFFAOYSA-N
XLogP2.14
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.74
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-[2-(2-morpholin-4-ylethoxy)phenyl]ethanol
CID 107713272
4-[2-[2-(4-phenylbutyl)phenoxy]ethyl]morpholine
CID 15389030
4-[3-[2-(3-morpholin-4-ylpropoxy)phenyl]propyl]morpholine
CID 170869645
N-[[2-(2-morpholin-4-ylethoxy)phenyl]methyl]-2,3-dihydro-1H-imidazol-2-amine
CID 67704074
N,N-dichloro-2-(2-morpholin-4-ylethoxy)aniline
CID 142799192
ethane;4-[2-(2-methylphenoxy)ethyl]morpholine
CID 144752549
(3S)-1-[[2-(2-morpholin-4-ylethoxy)phenyl]methyl]pyrrolidin-3-amine
CID 99927491
4-[2-(2,3-dichlorophenoxy)ethyl]morpholine
CID 869488
4-[2-[2-(chloromethyl)phenyl]ethyl]morpholine
CID 174531973
N,N-dimethyl-2-(2-morpholin-4-ylethoxy)aniline
CID 147491623
3-(2-morpholin-4-ylethoxy)benzene-1,2-diamine
CID 91269103
4-[2-[2-(2-fluorophenoxy)ethoxy]ethyl]morpholine
CID 27267565

Frequently Asked Questions

What is the IUPAC name of 4-[2-[2-(chloromethyl)phenoxy]ethyl]morpholine?
The IUPAC name of 4-[2-[2-(chloromethyl)phenoxy]ethyl]morpholine (CID 18179953) is 4-[2-[2-(chloromethyl)phenoxy]ethyl]morpholine.
What is the SMILES notation for 4-[2-[2-(chloromethyl)phenoxy]ethyl]morpholine?
The canonical SMILES for 4-[2-[2-(chloromethyl)phenoxy]ethyl]morpholine is ClCc1ccccc1OCCN1CCOCC1.
What is the InChIKey of 4-[2-[2-(chloromethyl)phenoxy]ethyl]morpholine?
The InChIKey is DUQJAUMBABDBKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO2/c14-11-12-3-1-2-4-13(12)17-10-7-15-5-8-16-9-6-15/h1-4H,5-11H2.
What are the key properties of 4-[2-[2-(chloromethyl)phenoxy]ethyl]morpholine?
4-[2-[2-(chloromethyl)phenoxy]ethyl]morpholine has a molecular weight of 255.74 g/mol, XLogP of 2.14, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[2-(chloromethyl)phenoxy]ethyl]morpholine is sourced from PubChem (CID 18179953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).