4-[(2-chlorophenyl)methyl]-2-(methoxymethyl)-2-methylpyrrolidine

C14H20ClNO — CID 117270706

IUPAC4-[(2-chlorophenyl)methyl]-2-(methoxymethyl)-2-methylpyrrolidine
SMILESCOCC1(C)CC(Cc2ccccc2Cl)CN1
InChIInChI=1S/C14H20ClNO/c1-14(10-17-2)8-11(9-16-14)7-12-5-3-4-6-13(12)15/h3-6,11,16H,7-10H2,1-2H3
InChIKeyGQERQXQOYVXXET-UHFFFAOYSA-N
MW253.77 g/mol
LogP2.90
Rot. Bonds4

About 4-[(2-chlorophenyl)methyl]-2-(methoxymethyl)-2-methylpyrrolidine

4-[(2-chlorophenyl)methyl]-2-(methoxymethyl)-2-methylpyrrolidine (PubChem CID 117270706) has the molecular formula C14H20ClNO and a molecular weight of 253.77 g/mol. Its IUPAC name is 4-[(2-chlorophenyl)methyl]-2-(methoxymethyl)-2-methylpyrrolidine.

Molecular Properties

Compound Name4-[(2-chlorophenyl)methyl]-2-(methoxymethyl)-2-methylpyrrolidine
PubChem CID117270706
Molecular FormulaC14H20ClNO
Molecular Weight253.77 g/mol
Exact Mass253.12
IUPAC Name4-[(2-chlorophenyl)methyl]-2-(methoxymethyl)-2-methylpyrrolidine
SMILESCOCC1(C)CC(Cc2ccccc2Cl)CN1
InChIInChI=1S/C14H20ClNO/c1-14(10-17-2)8-11(9-16-14)7-12-5-3-4-6-13(12)15/h3-6,11,16H,7-10H2,1-2H3
InChIKeyGQERQXQOYVXXET-UHFFFAOYSA-N
XLogP2.90
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.77
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[(2-chlorophenyl)methyl]-2-(methoxymethyl)-2-methylpyrrolidine?
The IUPAC name of 4-[(2-chlorophenyl)methyl]-2-(methoxymethyl)-2-methylpyrrolidine (CID 117270706) is 4-[(2-chlorophenyl)methyl]-2-(methoxymethyl)-2-methylpyrrolidine.
What is the SMILES notation for 4-[(2-chlorophenyl)methyl]-2-(methoxymethyl)-2-methylpyrrolidine?
The canonical SMILES for 4-[(2-chlorophenyl)methyl]-2-(methoxymethyl)-2-methylpyrrolidine is COCC1(C)CC(Cc2ccccc2Cl)CN1.
What is the InChIKey of 4-[(2-chlorophenyl)methyl]-2-(methoxymethyl)-2-methylpyrrolidine?
The InChIKey is GQERQXQOYVXXET-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO/c1-14(10-17-2)8-11(9-16-14)7-12-5-3-4-6-13(12)15/h3-6,11,16H,7-10H2,1-2H3.
What are the key properties of 4-[(2-chlorophenyl)methyl]-2-(methoxymethyl)-2-methylpyrrolidine?
4-[(2-chlorophenyl)methyl]-2-(methoxymethyl)-2-methylpyrrolidine has a molecular weight of 253.77 g/mol, XLogP of 2.90, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-chlorophenyl)methyl]-2-(methoxymethyl)-2-methylpyrrolidine is sourced from PubChem (CID 117270706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).