2-(chloromethyl)-4-ethylmorpholine

C7H14ClNO — CID 47003108

IUPAC2-(chloromethyl)-4-ethylmorpholine
SMILESCCN1CCOC(CCl)C1
InChIInChI=1S/C7H14ClNO/c1-2-9-3-4-10-7(5-8)6-9/h7H,2-6H2,1H3
InChIKeyYVALTHSXYFIFRQ-UHFFFAOYSA-N
MW163.65 g/mol
LogP0.95
Rot. Bonds2

About 2-(chloromethyl)-4-ethylmorpholine

2-(chloromethyl)-4-ethylmorpholine (PubChem CID 47003108) has the molecular formula C7H14ClNO and a molecular weight of 163.65 g/mol. Its IUPAC name is 2-(chloromethyl)-4-ethylmorpholine.

Molecular Properties

Compound Name2-(chloromethyl)-4-ethylmorpholine
PubChem CID47003108
Molecular FormulaC7H14ClNO
Molecular Weight163.65 g/mol
Exact Mass163.08
IUPAC Name2-(chloromethyl)-4-ethylmorpholine
SMILESCCN1CCOC(CCl)C1
InChIInChI=1S/C7H14ClNO/c1-2-9-3-4-10-7(5-8)6-9/h7H,2-6H2,1H3
InChIKeyYVALTHSXYFIFRQ-UHFFFAOYSA-N
XLogP0.95
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.65
LogP ≤ 50.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(chloromethyl)-4-ethylmorpholine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(3-Chloropropyl)morpholine
CID 95834
4-(3-Chloropropyl)morpholinium chloride
CID 12296283
2-(Chloromethyl)-4-(2-methylpropyl)morpholine
CID 4962385
2-(Chloromethyl)-4-(propan-2-yl)morpholine
CID 12832480
2-(Chloromethyl)-4-methylmorpholine
CID 47003107
4-(2-Chloropropyl)morpholine hydrochloride
CID 71758071
4-(2-Chloropropyl)morpholine
CID 15104445
1-Chloro-3-morpholin-4-yl-propan-2-ol
CID 10080987
1-Chloro-3-(3-fluoromorpholin-4-yl)propan-2-ol
CID 68282681
(2R)-1-chloro-3-(3-fluoromorpholin-4-yl)propan-2-ol
CID 68585490
(2S)-4-(3-chloropropyl)-2-(fluoromethyl)morpholine
CID 141322929
4-(3-Chloropropyl)-2,6-dimethylmorpholine
CID 19738017

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-4-ethylmorpholine?
The IUPAC name of 2-(chloromethyl)-4-ethylmorpholine (CID 47003108) is 2-(chloromethyl)-4-ethylmorpholine.
What is the SMILES notation for 2-(chloromethyl)-4-ethylmorpholine?
The canonical SMILES for 2-(chloromethyl)-4-ethylmorpholine is CCN1CCOC(CCl)C1.
What is the InChIKey of 2-(chloromethyl)-4-ethylmorpholine?
The InChIKey is YVALTHSXYFIFRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14ClNO/c1-2-9-3-4-10-7(5-8)6-9/h7H,2-6H2,1H3.
What are the key properties of 2-(chloromethyl)-4-ethylmorpholine?
2-(chloromethyl)-4-ethylmorpholine has a molecular weight of 163.65 g/mol, XLogP of 0.95, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-4-ethylmorpholine is sourced from PubChem (CID 47003108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).