2-[[2-(chloromethyl)-3-methylpyrrolidin-1-yl]methyl]-4-propan-2-ylmorpholine

C14H27ClN2O — CID 102785155

IUPAC2-[[2-(chloromethyl)-3-methylpyrrolidin-1-yl]methyl]-4-propan-2-ylmorpholine
SMILESCC1CCN(CC2CN(C(C)C)CCO2)C1CCl
InChIInChI=1S/C14H27ClN2O/c1-11(2)16-6-7-18-13(9-16)10-17-5-4-12(3)14(17)8-15/h11-14H,4-10H2,1-3H3
InChIKeyDYVKCVQXXHHEHW-UHFFFAOYSA-N
MW274.84 g/mol
LogP2.04
Rot. Bonds4

About 2-[[2-(chloromethyl)-3-methylpyrrolidin-1-yl]methyl]-4-propan-2-ylmorpholine

2-[[2-(chloromethyl)-3-methylpyrrolidin-1-yl]methyl]-4-propan-2-ylmorpholine (PubChem CID 102785155) has the molecular formula C14H27ClN2O and a molecular weight of 274.84 g/mol. Its IUPAC name is 2-[[2-(chloromethyl)-3-methylpyrrolidin-1-yl]methyl]-4-propan-2-ylmorpholine.

Molecular Properties

Compound Name2-[[2-(chloromethyl)-3-methylpyrrolidin-1-yl]methyl]-4-propan-2-ylmorpholine
PubChem CID102785155
Molecular FormulaC14H27ClN2O
Molecular Weight274.84 g/mol
Exact Mass274.18
IUPAC Name2-[[2-(chloromethyl)-3-methylpyrrolidin-1-yl]methyl]-4-propan-2-ylmorpholine
SMILESCC1CCN(CC2CN(C(C)C)CCO2)C1CCl
InChIInChI=1S/C14H27ClN2O/c1-11(2)16-6-7-18-13(9-16)10-17-5-4-12(3)14(17)8-15/h11-14H,4-10H2,1-3H3
InChIKeyDYVKCVQXXHHEHW-UHFFFAOYSA-N
XLogP2.04
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.84
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(chloromethyl)-3-methyl-1-(oxolan-2-ylmethyl)pyrrolidine
CID 102784519
2-[[2-(chloromethyl)pyrrolidin-1-yl]methyl]-4-propan-2-ylmorpholine
CID 64532579
3-methyl-1-[(4-propan-2-ylmorpholin-2-yl)methyl]pyrrolidine-2-carboxylic acid
CID 102784350
4-methyl-1-[(4-propan-2-ylmorpholin-2-yl)methyl]piperidin-3-amine
CID 64532750
[5-methyl-4-[(4-propan-2-ylmorpholin-2-yl)methyl]morpholin-2-yl]methanol
CID 114286891
2-[[3-(chloromethyl)piperidin-1-yl]methyl]-4-propan-2-ylmorpholine
CID 64534748
2-[(2-methylpiperazin-1-yl)methyl]-4-propan-2-ylmorpholine
CID 64535348
[3-methyl-1-[(4-methylmorpholin-2-yl)methyl]pyrrolidin-2-yl]methanol
CID 102788230
ethane;2-(methoxymethyl)-4-propan-2-ylmorpholine
CID 164585009
2-[(2,6-dimethylpiperazin-1-yl)methyl]-4-propan-2-ylmorpholine
CID 64532749
4-propan-2-yl-2-propylmorpholine
CID 118118152
(2S)-4-propan-2-yl-2-(propan-2-yloxymethyl)morpholine
CID 174286235

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(chloromethyl)-3-methylpyrrolidin-1-yl]methyl]-4-propan-2-ylmorpholine?
The IUPAC name of 2-[[2-(chloromethyl)-3-methylpyrrolidin-1-yl]methyl]-4-propan-2-ylmorpholine (CID 102785155) is 2-[[2-(chloromethyl)-3-methylpyrrolidin-1-yl]methyl]-4-propan-2-ylmorpholine.
What is the SMILES notation for 2-[[2-(chloromethyl)-3-methylpyrrolidin-1-yl]methyl]-4-propan-2-ylmorpholine?
The canonical SMILES for 2-[[2-(chloromethyl)-3-methylpyrrolidin-1-yl]methyl]-4-propan-2-ylmorpholine is CC1CCN(CC2CN(C(C)C)CCO2)C1CCl.
What is the InChIKey of 2-[[2-(chloromethyl)-3-methylpyrrolidin-1-yl]methyl]-4-propan-2-ylmorpholine?
The InChIKey is DYVKCVQXXHHEHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27ClN2O/c1-11(2)16-6-7-18-13(9-16)10-17-5-4-12(3)14(17)8-15/h11-14H,4-10H2,1-3H3.
What are the key properties of 2-[[2-(chloromethyl)-3-methylpyrrolidin-1-yl]methyl]-4-propan-2-ylmorpholine?
2-[[2-(chloromethyl)-3-methylpyrrolidin-1-yl]methyl]-4-propan-2-ylmorpholine has a molecular weight of 274.84 g/mol, XLogP of 2.04, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(chloromethyl)-3-methylpyrrolidin-1-yl]methyl]-4-propan-2-ylmorpholine is sourced from PubChem (CID 102785155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).