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

C13H18ClNO — CID 174531973

IUPAC4-[2-[2-(chloromethyl)phenyl]ethyl]morpholine
SMILESClCc1ccccc1CCN1CCOCC1
InChIInChI=1S/C13H18ClNO/c14-11-13-4-2-1-3-12(13)5-6-15-7-9-16-10-8-15/h1-4H,5-11H2
InChIKeyZGTSVHGOHUGTRD-UHFFFAOYSA-N
MW239.75 g/mol
LogP2.30
Rot. Bonds4

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

4-[2-[2-(chloromethyl)phenyl]ethyl]morpholine (PubChem CID 174531973) has the molecular formula C13H18ClNO and a molecular weight of 239.75 g/mol. Its IUPAC name is 4-[2-[2-(chloromethyl)phenyl]ethyl]morpholine.

Molecular Properties

Compound Name4-[2-[2-(chloromethyl)phenyl]ethyl]morpholine
PubChem CID174531973
Molecular FormulaC13H18ClNO
Molecular Weight239.75 g/mol
Exact Mass239.11
IUPAC Name4-[2-[2-(chloromethyl)phenyl]ethyl]morpholine
SMILESClCc1ccccc1CCN1CCOCC1
InChIInChI=1S/C13H18ClNO/c14-11-13-4-2-1-3-12(13)5-6-15-7-9-16-10-8-15/h1-4H,5-11H2
InChIKeyZGTSVHGOHUGTRD-UHFFFAOYSA-N
XLogP2.30
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.75
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-[2-[2-(chloromethyl)phenoxy]ethyl]morpholine
CID 18179953
methane;4-(2-phenylethyl)morpholine
CID 143698819
3-(2-morpholin-4-ylethyl)pyridin-2-amine;hydrochloride
CID 162323238
2-(4-morpholin-4-ylbutyl)phenol
CID 142043469
4-[2-[3-(chloromethyl)-2-methylphenyl]sulfanylethyl]morpholine
CID 10968097
4-[3-[2-[4-[2-(3-morpholin-4-ylpropyl)phenyl]piperazin-1-yl]phenyl]propyl]morpholine
CID 170869798
4-[2-(2-naphthalen-2-yloxyphenyl)ethyl]morpholine
CID 142671247
4-[3-[3-(3-morpholin-4-ylpropyl)naphthalen-2-yl]propyl]morpholine
CID 170869299
4-[3-[2-(3-morpholin-4-ylpropoxy)phenyl]propyl]morpholine
CID 170869645
2-(2-morpholin-4-ylethyl)benzene-1,3-diamine
CID 140755433
4-[2-(3-morpholin-4-ylpropyl)phenyl]-1-phenylbutan-1-one
CID 54071748
4-[3-[2-(2-fluorophenyl)phenyl]propyl]morpholine
CID 170869953

Frequently Asked Questions

What is the IUPAC name of 4-[2-[2-(chloromethyl)phenyl]ethyl]morpholine?
The IUPAC name of 4-[2-[2-(chloromethyl)phenyl]ethyl]morpholine (CID 174531973) is 4-[2-[2-(chloromethyl)phenyl]ethyl]morpholine.
What is the SMILES notation for 4-[2-[2-(chloromethyl)phenyl]ethyl]morpholine?
The canonical SMILES for 4-[2-[2-(chloromethyl)phenyl]ethyl]morpholine is ClCc1ccccc1CCN1CCOCC1.
What is the InChIKey of 4-[2-[2-(chloromethyl)phenyl]ethyl]morpholine?
The InChIKey is ZGTSVHGOHUGTRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO/c14-11-13-4-2-1-3-12(13)5-6-15-7-9-16-10-8-15/h1-4H,5-11H2.
What are the key properties of 4-[2-[2-(chloromethyl)phenyl]ethyl]morpholine?
4-[2-[2-(chloromethyl)phenyl]ethyl]morpholine has a molecular weight of 239.75 g/mol, XLogP of 2.30, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[2-(chloromethyl)phenyl]ethyl]morpholine is sourced from PubChem (CID 174531973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).