2-(chloromethyl)-4-(2-methylpropyl)morpholine

C9H18ClNO — CID 4962385

IUPAC2-(chloromethyl)-4-(2-methylpropyl)morpholine
SMILESCC(C)CN1CCOC(CCl)C1
InChIInChI=1S/C9H18ClNO/c1-8(2)6-11-3-4-12-9(5-10)7-11/h8-9H,3-7H2,1-2H3
InChIKeyMRKPERKTMLOJFF-UHFFFAOYSA-N
MW191.70 g/mol
LogP1.58
Rot. Bonds3

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

2-(chloromethyl)-4-(2-methylpropyl)morpholine (PubChem CID 4962385) has the molecular formula C9H18ClNO and a molecular weight of 191.70 g/mol. Its IUPAC name is 2-(chloromethyl)-4-(2-methylpropyl)morpholine.

Molecular Properties

Compound Name2-(chloromethyl)-4-(2-methylpropyl)morpholine
PubChem CID4962385
Molecular FormulaC9H18ClNO
Molecular Weight191.70 g/mol
Exact Mass191.11
IUPAC Name2-(chloromethyl)-4-(2-methylpropyl)morpholine
SMILESCC(C)CN1CCOC(CCl)C1
InChIInChI=1S/C9H18ClNO/c1-8(2)6-11-3-4-12-9(5-10)7-11/h8-9H,3-7H2,1-2H3
InChIKeyMRKPERKTMLOJFF-UHFFFAOYSA-N
XLogP1.58
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.70
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-4-(2-methylpropyl)morpholine?
The IUPAC name of 2-(chloromethyl)-4-(2-methylpropyl)morpholine (CID 4962385) is 2-(chloromethyl)-4-(2-methylpropyl)morpholine.
What is the SMILES notation for 2-(chloromethyl)-4-(2-methylpropyl)morpholine?
The canonical SMILES for 2-(chloromethyl)-4-(2-methylpropyl)morpholine is CC(C)CN1CCOC(CCl)C1.
What is the InChIKey of 2-(chloromethyl)-4-(2-methylpropyl)morpholine?
The InChIKey is MRKPERKTMLOJFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18ClNO/c1-8(2)6-11-3-4-12-9(5-10)7-11/h8-9H,3-7H2,1-2H3.
What are the key properties of 2-(chloromethyl)-4-(2-methylpropyl)morpholine?
2-(chloromethyl)-4-(2-methylpropyl)morpholine has a molecular weight of 191.70 g/mol, XLogP of 1.58, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-4-(2-methylpropyl)morpholine is sourced from PubChem (CID 4962385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).