2-[[2-(chloromethyl)pyrrolidin-1-yl]methyl]-4-propan-2-ylmorpholine

C13H25ClN2O — CID 64532579

IUPAC2-[[2-(chloromethyl)pyrrolidin-1-yl]methyl]-4-propan-2-ylmorpholine
SMILESCC(C)N1CCOC(CN2CCCC2CCl)C1
InChIInChI=1S/C13H25ClN2O/c1-11(2)15-6-7-17-13(9-15)10-16-5-3-4-12(16)8-14/h11-13H,3-10H2,1-2H3
InChIKeyFVNKLQMBVRATIN-UHFFFAOYSA-N
MW260.81 g/mol
LogP1.80
Rot. Bonds4

About 2-[[2-(chloromethyl)pyrrolidin-1-yl]methyl]-4-propan-2-ylmorpholine

2-[[2-(chloromethyl)pyrrolidin-1-yl]methyl]-4-propan-2-ylmorpholine (PubChem CID 64532579) has the molecular formula C13H25ClN2O and a molecular weight of 260.81 g/mol. Its IUPAC name is 2-[[2-(chloromethyl)pyrrolidin-1-yl]methyl]-4-propan-2-ylmorpholine.

Molecular Properties

Compound Name2-[[2-(chloromethyl)pyrrolidin-1-yl]methyl]-4-propan-2-ylmorpholine
PubChem CID64532579
Molecular FormulaC13H25ClN2O
Molecular Weight260.81 g/mol
Exact Mass260.17
IUPAC Name2-[[2-(chloromethyl)pyrrolidin-1-yl]methyl]-4-propan-2-ylmorpholine
SMILESCC(C)N1CCOC(CN2CCCC2CCl)C1
InChIInChI=1S/C13H25ClN2O/c1-11(2)15-6-7-17-13(9-15)10-16-5-3-4-12(16)8-14/h11-13H,3-10H2,1-2H3
InChIKeyFVNKLQMBVRATIN-UHFFFAOYSA-N
XLogP1.80
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.81
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-[[2-(chloromethyl)pyrrolidin-1-yl]methyl]-4-propan-2-ylmorpholine?
The IUPAC name of 2-[[2-(chloromethyl)pyrrolidin-1-yl]methyl]-4-propan-2-ylmorpholine (CID 64532579) is 2-[[2-(chloromethyl)pyrrolidin-1-yl]methyl]-4-propan-2-ylmorpholine.
What is the SMILES notation for 2-[[2-(chloromethyl)pyrrolidin-1-yl]methyl]-4-propan-2-ylmorpholine?
The canonical SMILES for 2-[[2-(chloromethyl)pyrrolidin-1-yl]methyl]-4-propan-2-ylmorpholine is CC(C)N1CCOC(CN2CCCC2CCl)C1.
What is the InChIKey of 2-[[2-(chloromethyl)pyrrolidin-1-yl]methyl]-4-propan-2-ylmorpholine?
The InChIKey is FVNKLQMBVRATIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25ClN2O/c1-11(2)15-6-7-17-13(9-15)10-16-5-3-4-12(16)8-14/h11-13H,3-10H2,1-2H3.
What are the key properties of 2-[[2-(chloromethyl)pyrrolidin-1-yl]methyl]-4-propan-2-ylmorpholine?
2-[[2-(chloromethyl)pyrrolidin-1-yl]methyl]-4-propan-2-ylmorpholine has a molecular weight of 260.81 g/mol, XLogP of 1.80, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(chloromethyl)pyrrolidin-1-yl]methyl]-4-propan-2-ylmorpholine is sourced from PubChem (CID 64532579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).