4-(2-chloropropyl)morpholine;hydrochloride

C7H15Cl2NO — CID 71758071

IUPAC4-(2-chloropropyl)morpholine;hydrochloride
SMILESCC(Cl)CN1CCOCC1.Cl
InChIInChI=1S/C7H14ClNO.ClH/c1-7(8)6-9-2-4-10-5-3-9;/h7H,2-6H2,1H3;1H
InChIKeyAUQKBHRNJGORDN-UHFFFAOYSA-N
MW200.11 g/mol
LogP1.37
Rot. Bonds2

About 4-(2-chloropropyl)morpholine;hydrochloride

4-(2-chloropropyl)morpholine;hydrochloride (PubChem CID 71758071) has the molecular formula C7H15Cl2NO and a molecular weight of 200.11 g/mol. Its IUPAC name is 4-(2-chloropropyl)morpholine;hydrochloride.

Molecular Properties

Compound Name4-(2-chloropropyl)morpholine;hydrochloride
PubChem CID71758071
Molecular FormulaC7H15Cl2NO
Molecular Weight200.11 g/mol
Exact Mass199.05
IUPAC Name4-(2-chloropropyl)morpholine;hydrochloride
SMILESCC(Cl)CN1CCOCC1.Cl
InChIInChI=1S/C7H14ClNO.ClH/c1-7(8)6-9-2-4-10-5-3-9;/h7H,2-6H2,1H3;1H
InChIKeyAUQKBHRNJGORDN-UHFFFAOYSA-N
XLogP1.37
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.11
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-(2-chloropropyl)morpholine;hydrochloride 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

Morpholine, 4-(2-chloroethyl)-, hydrochloride (1:1)
CID 77210
4-(2-Chloroethyl)morpholine
CID 76727
4-(3-Chloropropyl)morpholine
CID 95834
4-(3-Chloropropyl)morpholinium chloride
CID 12296283
4,4-Bis(2-chloroethyl)morpholin-4-ium chloride
CID 116304
4-(2,3-Dichloropropyl)morpholine--hydrogen chloride (1/1)
CID 3039553
2-(Chloromethyl)-4-methylmorpholine
CID 47003107
4-(2-Chloropropyl)morpholine
CID 15104445
2-(Chloromethyl)-4-ethylmorpholine
CID 47003108
(s)-4-(1-Chloropropan-2-yl)morpholine
CID 51673805
4-(2-Chloroethyl)morpholinyl hydrochloride
CID 67408175
4-(2-Chloroethyl)morpholine;hydron;chloride
CID 67037488

Frequently Asked Questions

What is the IUPAC name of 4-(2-chloropropyl)morpholine;hydrochloride?
The IUPAC name of 4-(2-chloropropyl)morpholine;hydrochloride (CID 71758071) is 4-(2-chloropropyl)morpholine;hydrochloride.
What is the SMILES notation for 4-(2-chloropropyl)morpholine;hydrochloride?
The canonical SMILES for 4-(2-chloropropyl)morpholine;hydrochloride is CC(Cl)CN1CCOCC1.Cl.
What is the InChIKey of 4-(2-chloropropyl)morpholine;hydrochloride?
The InChIKey is AUQKBHRNJGORDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14ClNO.ClH/c1-7(8)6-9-2-4-10-5-3-9;/h7H,2-6H2,1H3;1H.
What are the key properties of 4-(2-chloropropyl)morpholine;hydrochloride?
4-(2-chloropropyl)morpholine;hydrochloride has a molecular weight of 200.11 g/mol, XLogP of 1.37, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chloropropyl)morpholine;hydrochloride is sourced from PubChem (CID 71758071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).