2-(chloromethyl)-3-methyl-1-(2-phenoxyethyl)pyrrolidine

C14H20ClNO — CID 102784580

IUPAC2-(chloromethyl)-3-methyl-1-(2-phenoxyethyl)pyrrolidine
SMILESCC1CCN(CCOc2ccccc2)C1CCl
InChIInChI=1S/C14H20ClNO/c1-12-7-8-16(14(12)11-15)9-10-17-13-5-3-2-4-6-13/h2-6,12,14H,7-11H2,1H3
InChIKeyYDMDUYZAXCVUFL-UHFFFAOYSA-N
MW253.77 g/mol
LogP3.01
Rot. Bonds5

About 2-(chloromethyl)-3-methyl-1-(2-phenoxyethyl)pyrrolidine

2-(chloromethyl)-3-methyl-1-(2-phenoxyethyl)pyrrolidine (PubChem CID 102784580) has the molecular formula C14H20ClNO and a molecular weight of 253.77 g/mol. Its IUPAC name is 2-(chloromethyl)-3-methyl-1-(2-phenoxyethyl)pyrrolidine.

Molecular Properties

Compound Name2-(chloromethyl)-3-methyl-1-(2-phenoxyethyl)pyrrolidine
PubChem CID102784580
Molecular FormulaC14H20ClNO
Molecular Weight253.77 g/mol
Exact Mass253.12
IUPAC Name2-(chloromethyl)-3-methyl-1-(2-phenoxyethyl)pyrrolidine
SMILESCC1CCN(CCOc2ccccc2)C1CCl
InChIInChI=1S/C14H20ClNO/c1-12-7-8-16(14(12)11-15)9-10-17-13-5-3-2-4-6-13/h2-6,12,14H,7-11H2,1H3
InChIKeyYDMDUYZAXCVUFL-UHFFFAOYSA-N
XLogP3.01
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.77
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(chloromethyl)-3-methyl-1-(2-phenylsulfanylethyl)pyrrolidine
CID 102784929
(2R)-2-methyl-1-(2-phenoxyethyl)aziridine
CID 122210723
[3-methyl-1-[2-(3-methylphenoxy)ethyl]pyrrolidin-2-yl]methanol
CID 102788914
[3-methyl-1-(3-phenoxypropyl)piperidin-2-yl]methanamine
CID 62935912
[1-[2-[3-(aminomethyl)phenoxy]ethyl]-3-methylpyrrolidin-2-yl]methanol
CID 102778067
[1-[2-[4-(2-aminoethyl)phenoxy]ethyl]-3-methylpyrrolidin-2-yl]methanol
CID 102778148
3-[[2-(chloromethyl)-3-methylpyrrolidin-1-yl]methyl]pyridine
CID 102784644
4-[2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]ethoxy]benzenecarboximidamide
CID 102781528
(1-benzyl-3-methylpyrrolidin-2-yl)methanol
CID 78022490
2,5-dimethyl-1-(3-phenoxypropyl)pyrrolidine
CID 123293615
N-methyl-1-[1-(2-phenoxyethyl)pyrrolidin-2-yl]methanamine;hydrochloride
CID 119928558
1-methyl-2-(2-phenoxyethyl)piperidine
CID 23339547

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-3-methyl-1-(2-phenoxyethyl)pyrrolidine?
The IUPAC name of 2-(chloromethyl)-3-methyl-1-(2-phenoxyethyl)pyrrolidine (CID 102784580) is 2-(chloromethyl)-3-methyl-1-(2-phenoxyethyl)pyrrolidine.
What is the SMILES notation for 2-(chloromethyl)-3-methyl-1-(2-phenoxyethyl)pyrrolidine?
The canonical SMILES for 2-(chloromethyl)-3-methyl-1-(2-phenoxyethyl)pyrrolidine is CC1CCN(CCOc2ccccc2)C1CCl.
What is the InChIKey of 2-(chloromethyl)-3-methyl-1-(2-phenoxyethyl)pyrrolidine?
The InChIKey is YDMDUYZAXCVUFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO/c1-12-7-8-16(14(12)11-15)9-10-17-13-5-3-2-4-6-13/h2-6,12,14H,7-11H2,1H3.
What are the key properties of 2-(chloromethyl)-3-methyl-1-(2-phenoxyethyl)pyrrolidine?
2-(chloromethyl)-3-methyl-1-(2-phenoxyethyl)pyrrolidine has a molecular weight of 253.77 g/mol, XLogP of 3.01, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-3-methyl-1-(2-phenoxyethyl)pyrrolidine is sourced from PubChem (CID 102784580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).