2-(chloromethyl)-4-(2-ethylhexyl)morpholine

C13H26ClNO — CID 81210479

IUPAC2-(chloromethyl)-4-(2-ethylhexyl)morpholine
SMILESCCCCC(CC)CN1CCOC(CCl)C1
InChIInChI=1S/C13H26ClNO/c1-3-5-6-12(4-2)10-15-7-8-16-13(9-14)11-15/h12-13H,3-11H2,1-2H3
InChIKeyKPPNOAZKGIRRLH-UHFFFAOYSA-N
MW247.81 g/mol
LogP3.14
Rot. Bonds7

About 2-(chloromethyl)-4-(2-ethylhexyl)morpholine

2-(chloromethyl)-4-(2-ethylhexyl)morpholine (PubChem CID 81210479) has the molecular formula C13H26ClNO and a molecular weight of 247.81 g/mol. Its IUPAC name is 2-(chloromethyl)-4-(2-ethylhexyl)morpholine.

Molecular Properties

Compound Name2-(chloromethyl)-4-(2-ethylhexyl)morpholine
PubChem CID81210479
Molecular FormulaC13H26ClNO
Molecular Weight247.81 g/mol
Exact Mass247.17
IUPAC Name2-(chloromethyl)-4-(2-ethylhexyl)morpholine
SMILESCCCCC(CC)CN1CCOC(CCl)C1
InChIInChI=1S/C13H26ClNO/c1-3-5-6-12(4-2)10-15-7-8-16-13(9-14)11-15/h12-13H,3-11H2,1-2H3
InChIKeyKPPNOAZKGIRRLH-UHFFFAOYSA-N
XLogP3.14
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.81
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(chloromethyl)-4-(2-ethylhexyl)morpholine 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-(2-ethylhexyl)morpholine-2-carbonitrile
CID 79674455
2-(chloromethyl)-4-pentylmorpholine
CID 81213679
2-(chloromethyl)-4-heptylmorpholine
CID 81213546
[4-(2-ethylbutyl)morpholin-2-yl]methanamine
CID 82924060
2-(chloromethyl)-4-(2-ethylhexyl)-5-methylmorpholine
CID 81210661
1-(2-ethylhexyl)-4,6-dimethyl-1,5-diazocane
CID 107817900
4-(1-chloroethyl)-1-(2-ethylhexyl)piperidine
CID 106837967
2-(chloromethyl)-4-(3-ethylsulfonylpropyl)morpholine
CID 81214049
2-(2-ethylhexyl)oxetane
CID 158420180
1-(2-ethylhexyl)pyrrolidine-3,4-diol
CID 106672045
4-bromo-1-(2-ethylhexyl)piperidine
CID 80678889
3-[2-(chloromethyl)morpholin-4-yl]-N,N-dimethylpropan-1-amine
CID 114526695

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-4-(2-ethylhexyl)morpholine?
The IUPAC name of 2-(chloromethyl)-4-(2-ethylhexyl)morpholine (CID 81210479) is 2-(chloromethyl)-4-(2-ethylhexyl)morpholine.
What is the SMILES notation for 2-(chloromethyl)-4-(2-ethylhexyl)morpholine?
The canonical SMILES for 2-(chloromethyl)-4-(2-ethylhexyl)morpholine is CCCCC(CC)CN1CCOC(CCl)C1.
What is the InChIKey of 2-(chloromethyl)-4-(2-ethylhexyl)morpholine?
The InChIKey is KPPNOAZKGIRRLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26ClNO/c1-3-5-6-12(4-2)10-15-7-8-16-13(9-14)11-15/h12-13H,3-11H2,1-2H3.
What are the key properties of 2-(chloromethyl)-4-(2-ethylhexyl)morpholine?
2-(chloromethyl)-4-(2-ethylhexyl)morpholine has a molecular weight of 247.81 g/mol, XLogP of 3.14, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-4-(2-ethylhexyl)morpholine is sourced from PubChem (CID 81210479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).