2-[(3-chloropyrrolidin-1-yl)methyl]-4-ethylmorpholine

C11H21ClN2O — CID 79182491

IUPAC2-[(3-chloropyrrolidin-1-yl)methyl]-4-ethylmorpholine
SMILESCCN1CCOC(CN2CCC(Cl)C2)C1
InChIInChI=1S/C11H21ClN2O/c1-2-13-5-6-15-11(8-13)9-14-4-3-10(12)7-14/h10-11H,2-9H2,1H3
InChIKeyYWNHVGYJHLXGGM-UHFFFAOYSA-N
MW232.75 g/mol
LogP1.02
Rot. Bonds3

About 2-[(3-chloropyrrolidin-1-yl)methyl]-4-ethylmorpholine

2-[(3-chloropyrrolidin-1-yl)methyl]-4-ethylmorpholine (PubChem CID 79182491) has the molecular formula C11H21ClN2O and a molecular weight of 232.75 g/mol. Its IUPAC name is 2-[(3-chloropyrrolidin-1-yl)methyl]-4-ethylmorpholine.

Molecular Properties

Compound Name2-[(3-chloropyrrolidin-1-yl)methyl]-4-ethylmorpholine
PubChem CID79182491
Molecular FormulaC11H21ClN2O
Molecular Weight232.75 g/mol
Exact Mass232.13
IUPAC Name2-[(3-chloropyrrolidin-1-yl)methyl]-4-ethylmorpholine
SMILESCCN1CCOC(CN2CCC(Cl)C2)C1
InChIInChI=1S/C11H21ClN2O/c1-2-13-5-6-15-11(8-13)9-14-4-3-10(12)7-14/h10-11H,2-9H2,1H3
InChIKeyYWNHVGYJHLXGGM-UHFFFAOYSA-N
XLogP1.02
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.75
LogP ≤ 51.02
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

3-ethyl-1-[(4-ethylmorpholin-2-yl)methyl]piperidin-4-amine
CID 81460895
1-[(4-ethylmorpholin-2-yl)methyl]piperidine-4-carbaldehyde
CID 79182828
4-ethyl-2-[[(3R)-3-methylpiperazin-1-yl]methyl]morpholine
CID 104975908
2,4-diethylmorpholine
CID 58988021
1-[(4-ethylmorpholin-2-yl)methyl]piperidine-4-carbothioamide
CID 79172211
N-[[1-[(4-ethylmorpholin-2-yl)methyl]pyrrolidin-3-yl]methyl]propan-2-amine
CID 114400294
4-ethyl-2-[(6-ethyl-3-methyl-1,5-diazocan-1-yl)methyl]morpholine
CID 114401113
N-cyclopropyl-1-[(4-ethylmorpholin-2-yl)methyl]piperidin-3-amine
CID 114401290
methyl 4-[(4-ethylmorpholin-2-yl)methyl]morpholine-2-carboxylate
CID 78946666
2-[4-[(4-ethylmorpholin-2-yl)methyl]piperazin-1-yl]ethanamine
CID 79165951
3-cyclopropyl-1-[(4-ethylmorpholin-2-yl)methyl]azetidin-3-amine
CID 79182409
1-[(4-ethylmorpholin-2-yl)methyl]piperidine-4-carboximidamide
CID 79171844

Frequently Asked Questions

What is the IUPAC name of 2-[(3-chloropyrrolidin-1-yl)methyl]-4-ethylmorpholine?
The IUPAC name of 2-[(3-chloropyrrolidin-1-yl)methyl]-4-ethylmorpholine (CID 79182491) is 2-[(3-chloropyrrolidin-1-yl)methyl]-4-ethylmorpholine.
What is the SMILES notation for 2-[(3-chloropyrrolidin-1-yl)methyl]-4-ethylmorpholine?
The canonical SMILES for 2-[(3-chloropyrrolidin-1-yl)methyl]-4-ethylmorpholine is CCN1CCOC(CN2CCC(Cl)C2)C1.
What is the InChIKey of 2-[(3-chloropyrrolidin-1-yl)methyl]-4-ethylmorpholine?
The InChIKey is YWNHVGYJHLXGGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21ClN2O/c1-2-13-5-6-15-11(8-13)9-14-4-3-10(12)7-14/h10-11H,2-9H2,1H3.
What are the key properties of 2-[(3-chloropyrrolidin-1-yl)methyl]-4-ethylmorpholine?
2-[(3-chloropyrrolidin-1-yl)methyl]-4-ethylmorpholine has a molecular weight of 232.75 g/mol, XLogP of 1.02, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chloropyrrolidin-1-yl)methyl]-4-ethylmorpholine is sourced from PubChem (CID 79182491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).