3-[(2,6-dichlorophenyl)methyl]-1-methylpyrrolidin-3-ol

C12H15Cl2NO — CID 65146298

IUPAC3-[(2,6-dichlorophenyl)methyl]-1-methylpyrrolidin-3-ol
SMILESCN1CCC(O)(Cc2c(Cl)cccc2Cl)C1
InChIInChI=1S/C12H15Cl2NO/c1-15-6-5-12(16,8-15)7-9-10(13)3-2-4-11(9)14/h2-4,16H,5-8H2,1H3
InChIKeyCBTFDABEIIRKAG-UHFFFAOYSA-N
MW260.16 g/mol
LogP2.60
Rot. Bonds2

About 3-[(2,6-dichlorophenyl)methyl]-1-methylpyrrolidin-3-ol

3-[(2,6-dichlorophenyl)methyl]-1-methylpyrrolidin-3-ol (PubChem CID 65146298) has the molecular formula C12H15Cl2NO and a molecular weight of 260.16 g/mol. Its IUPAC name is 3-[(2,6-dichlorophenyl)methyl]-1-methylpyrrolidin-3-ol.

Molecular Properties

Compound Name3-[(2,6-dichlorophenyl)methyl]-1-methylpyrrolidin-3-ol
PubChem CID65146298
Molecular FormulaC12H15Cl2NO
Molecular Weight260.16 g/mol
Exact Mass259.05
IUPAC Name3-[(2,6-dichlorophenyl)methyl]-1-methylpyrrolidin-3-ol
SMILESCN1CCC(O)(Cc2c(Cl)cccc2Cl)C1
InChIInChI=1S/C12H15Cl2NO/c1-15-6-5-12(16,8-15)7-9-10(13)3-2-4-11(9)14/h2-4,16H,5-8H2,1H3
InChIKeyCBTFDABEIIRKAG-UHFFFAOYSA-N
XLogP2.60
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.16
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[(2,6-dichlorophenyl)methyl]-1-methylpyrrolidin-3-ol?
The IUPAC name of 3-[(2,6-dichlorophenyl)methyl]-1-methylpyrrolidin-3-ol (CID 65146298) is 3-[(2,6-dichlorophenyl)methyl]-1-methylpyrrolidin-3-ol.
What is the SMILES notation for 3-[(2,6-dichlorophenyl)methyl]-1-methylpyrrolidin-3-ol?
The canonical SMILES for 3-[(2,6-dichlorophenyl)methyl]-1-methylpyrrolidin-3-ol is CN1CCC(O)(Cc2c(Cl)cccc2Cl)C1.
What is the InChIKey of 3-[(2,6-dichlorophenyl)methyl]-1-methylpyrrolidin-3-ol?
The InChIKey is CBTFDABEIIRKAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15Cl2NO/c1-15-6-5-12(16,8-15)7-9-10(13)3-2-4-11(9)14/h2-4,16H,5-8H2,1H3.
What are the key properties of 3-[(2,6-dichlorophenyl)methyl]-1-methylpyrrolidin-3-ol?
3-[(2,6-dichlorophenyl)methyl]-1-methylpyrrolidin-3-ol has a molecular weight of 260.16 g/mol, XLogP of 2.60, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,6-dichlorophenyl)methyl]-1-methylpyrrolidin-3-ol is sourced from PubChem (CID 65146298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).