4-[2-chloro-4-(chloromethyl)phenyl]-3-ethylmorpholine

C13H17Cl2NO — CID 81152265

IUPAC4-[2-chloro-4-(chloromethyl)phenyl]-3-ethylmorpholine
SMILESCCC1COCCN1c1ccc(CCl)cc1Cl
InChIInChI=1S/C13H17Cl2NO/c1-2-11-9-17-6-5-16(11)13-4-3-10(8-14)7-12(13)15/h3-4,7,11H,2,5-6,8-9H2,1H3
InChIKeyDGHJKQMKDANWGI-UHFFFAOYSA-N
MW274.19 g/mol
LogP3.69
Rot. Bonds3

About 4-[2-chloro-4-(chloromethyl)phenyl]-3-ethylmorpholine

4-[2-chloro-4-(chloromethyl)phenyl]-3-ethylmorpholine (PubChem CID 81152265) has the molecular formula C13H17Cl2NO and a molecular weight of 274.19 g/mol. Its IUPAC name is 4-[2-chloro-4-(chloromethyl)phenyl]-3-ethylmorpholine.

Molecular Properties

Compound Name4-[2-chloro-4-(chloromethyl)phenyl]-3-ethylmorpholine
PubChem CID81152265
Molecular FormulaC13H17Cl2NO
Molecular Weight274.19 g/mol
Exact Mass273.07
IUPAC Name4-[2-chloro-4-(chloromethyl)phenyl]-3-ethylmorpholine
SMILESCCC1COCCN1c1ccc(CCl)cc1Cl
InChIInChI=1S/C13H17Cl2NO/c1-2-11-9-17-6-5-16(11)13-4-3-10(8-14)7-12(13)15/h3-4,7,11H,2,5-6,8-9H2,1H3
InChIKeyDGHJKQMKDANWGI-UHFFFAOYSA-N
XLogP3.69
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.19
LogP ≤ 53.69
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

N-[[3-chloro-4-(3-ethylmorpholin-4-yl)phenyl]methyl]-2-methylpropan-2-amine
CID 81146788
(1R)-1-[3-chloro-4-(3-ethylmorpholin-4-yl)phenyl]ethanol
CID 55183017
5-chloro-2-(3-ethylmorpholin-4-yl)benzaldehyde
CID 114843991
4-[4-(chloromethyl)-2,6-difluorophenyl]-3-ethylmorpholine
CID 63075679
[4-chloro-2-(3-ethylmorpholin-4-yl)phenyl]methanamine
CID 63082825
1-[4-(3-ethylmorpholin-4-yl)-3-methylphenyl]propan-2-amine
CID 63785664
4-[5-chloro-4-(chloromethyl)-2-pyridinyl]-3-ethylmorpholine
CID 114920876
1-[2-chloro-4-(chloromethyl)phenyl]-4-ethylpiperidine
CID 81151438
4-[4-(bromomethyl)phenyl]-3-ethylmorpholine
CID 107080615
5-chloro-2-(3-ethylmorpholin-4-yl)benzenecarboximidamide
CID 62493254
4-bromo-2-(3-ethylmorpholin-4-yl)aniline
CID 65343373
4-(3-chloro-2-nitrophenyl)-3-ethylmorpholine
CID 104838831

Frequently Asked Questions

What is the IUPAC name of 4-[2-chloro-4-(chloromethyl)phenyl]-3-ethylmorpholine?
The IUPAC name of 4-[2-chloro-4-(chloromethyl)phenyl]-3-ethylmorpholine (CID 81152265) is 4-[2-chloro-4-(chloromethyl)phenyl]-3-ethylmorpholine.
What is the SMILES notation for 4-[2-chloro-4-(chloromethyl)phenyl]-3-ethylmorpholine?
The canonical SMILES for 4-[2-chloro-4-(chloromethyl)phenyl]-3-ethylmorpholine is CCC1COCCN1c1ccc(CCl)cc1Cl.
What is the InChIKey of 4-[2-chloro-4-(chloromethyl)phenyl]-3-ethylmorpholine?
The InChIKey is DGHJKQMKDANWGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17Cl2NO/c1-2-11-9-17-6-5-16(11)13-4-3-10(8-14)7-12(13)15/h3-4,7,11H,2,5-6,8-9H2,1H3.
What are the key properties of 4-[2-chloro-4-(chloromethyl)phenyl]-3-ethylmorpholine?
4-[2-chloro-4-(chloromethyl)phenyl]-3-ethylmorpholine has a molecular weight of 274.19 g/mol, XLogP of 3.69, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-chloro-4-(chloromethyl)phenyl]-3-ethylmorpholine is sourced from PubChem (CID 81152265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).