4-(2-chloroethyl)morpholine;N,N-dimethylformamide;hydrochloride

C9H20Cl2N2O2 — CID 87292423

IUPAC4-(2-chloroethyl)morpholine;N,N-dimethylformamide;hydrochloride
SMILESCN(C)C=O.Cl.ClCCN1CCOCC1
InChIInChI=1S/C6H12ClNO.C3H7NO.ClH/c7-1-2-8-3-5-9-6-4-8;1-4(2)3-5;/h1-6H2;3H,1-2H3;1H
InChIKeyMFODWMUDBKQIAZ-UHFFFAOYSA-N
MW259.18 g/mol
LogP0.68
Rot. Bonds3

About 4-(2-chloroethyl)morpholine;N,N-dimethylformamide;hydrochloride

4-(2-chloroethyl)morpholine;N,N-dimethylformamide;hydrochloride (PubChem CID 87292423) has the molecular formula C9H20Cl2N2O2 and a molecular weight of 259.18 g/mol. Its IUPAC name is 4-(2-chloroethyl)morpholine;N,N-dimethylformamide;hydrochloride.

Molecular Properties

Compound Name4-(2-chloroethyl)morpholine;N,N-dimethylformamide;hydrochloride
PubChem CID87292423
Molecular FormulaC9H20Cl2N2O2
Molecular Weight259.18 g/mol
Exact Mass258.09
IUPAC Name4-(2-chloroethyl)morpholine;N,N-dimethylformamide;hydrochloride
SMILESCN(C)C=O.Cl.ClCCN1CCOCC1
InChIInChI=1S/C6H12ClNO.C3H7NO.ClH/c7-1-2-8-3-5-9-6-4-8;1-4(2)3-5;/h1-6H2;3H,1-2H3;1H
InChIKeyMFODWMUDBKQIAZ-UHFFFAOYSA-N
XLogP0.68
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.18
LogP ≤ 50.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-butylmorpholine;N,N-dimethylformamide
CID 178173228
4-(2-chloroethyl)morpholine;1-(2-chloroethyl)piperidine
CID 174525711
4-(2-chloroethyl)morpholine;3-chloro-N,N,2-trimethylpropan-1-amine
CID 22403187
4-(2-chloroethyl)-2,2-dideuteriomorpholine
CID 162705481
4-butylmorpholine;ethane;N-ethyl-N-methylformamide
CID 156802754
4-ethylmorpholine;formic acid
CID 158286088
zinc;N,N-dimethyl-2-morpholin-4-ylethanamine;dichloride
CID 70152362
16-[10-(1,4,7,10,13-pentaoxa-16-azacyclooctadec-16-yl)decyl]-1,4,7,10,13-pentaoxa-16-azacyclooctadecane
CID 15145347
4-[2-(4-methylpiperazin-1-yl)ethyl]morpholine
CID 20719664
4-(2-chloroethyl)-2,2,3,3-tetradeuteriomorpholine
CID 162705405
1-chloropropane;morpholine-4-carbaldehyde
CID 165401429
3-morpholin-4-ylpropanoyl chloride;hydrochloride
CID 19856369

Frequently Asked Questions

What is the IUPAC name of 4-(2-chloroethyl)morpholine;N,N-dimethylformamide;hydrochloride?
The IUPAC name of 4-(2-chloroethyl)morpholine;N,N-dimethylformamide;hydrochloride (CID 87292423) is 4-(2-chloroethyl)morpholine;N,N-dimethylformamide;hydrochloride.
What is the SMILES notation for 4-(2-chloroethyl)morpholine;N,N-dimethylformamide;hydrochloride?
The canonical SMILES for 4-(2-chloroethyl)morpholine;N,N-dimethylformamide;hydrochloride is CN(C)C=O.Cl.ClCCN1CCOCC1.
What is the InChIKey of 4-(2-chloroethyl)morpholine;N,N-dimethylformamide;hydrochloride?
The InChIKey is MFODWMUDBKQIAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12ClNO.C3H7NO.ClH/c7-1-2-8-3-5-9-6-4-8;1-4(2)3-5;/h1-6H2;3H,1-2H3;1H.
What are the key properties of 4-(2-chloroethyl)morpholine;N,N-dimethylformamide;hydrochloride?
4-(2-chloroethyl)morpholine;N,N-dimethylformamide;hydrochloride has a molecular weight of 259.18 g/mol, XLogP of 0.68, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chloroethyl)morpholine;N,N-dimethylformamide;hydrochloride is sourced from PubChem (CID 87292423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).