3-(2,4-dichlorophenyl)-3-methylpyrrolidine

C11H13Cl2N — CID 62355170

IUPAC3-(2,4-dichlorophenyl)-3-methylpyrrolidine
SMILESCC1(c2ccc(Cl)cc2Cl)CCNC1
InChIInChI=1S/C11H13Cl2N/c1-11(4-5-14-7-11)9-3-2-8(12)6-10(9)13/h2-3,6,14H,4-5,7H2,1H3
InChIKeyIHHWUTQOSJTUQB-UHFFFAOYSA-N
MW230.14 g/mol
LogP3.24
Rot. Bonds1

About 3-(2,4-dichlorophenyl)-3-methylpyrrolidine

3-(2,4-dichlorophenyl)-3-methylpyrrolidine (PubChem CID 62355170) has the molecular formula C11H13Cl2N and a molecular weight of 230.14 g/mol. Its IUPAC name is 3-(2,4-dichlorophenyl)-3-methylpyrrolidine.

Molecular Properties

Compound Name3-(2,4-dichlorophenyl)-3-methylpyrrolidine
PubChem CID62355170
Molecular FormulaC11H13Cl2N
Molecular Weight230.14 g/mol
Exact Mass229.04
IUPAC Name3-(2,4-dichlorophenyl)-3-methylpyrrolidine
SMILESCC1(c2ccc(Cl)cc2Cl)CCNC1
InChIInChI=1S/C11H13Cl2N/c1-11(4-5-14-7-11)9-3-2-8(12)6-10(9)13/h2-3,6,14H,4-5,7H2,1H3
InChIKeyIHHWUTQOSJTUQB-UHFFFAOYSA-N
XLogP3.24
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.14
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dichlorophenyl)-3-methylpyrrolidine?
The IUPAC name of 3-(2,4-dichlorophenyl)-3-methylpyrrolidine (CID 62355170) is 3-(2,4-dichlorophenyl)-3-methylpyrrolidine.
What is the SMILES notation for 3-(2,4-dichlorophenyl)-3-methylpyrrolidine?
The canonical SMILES for 3-(2,4-dichlorophenyl)-3-methylpyrrolidine is CC1(c2ccc(Cl)cc2Cl)CCNC1.
What is the InChIKey of 3-(2,4-dichlorophenyl)-3-methylpyrrolidine?
The InChIKey is IHHWUTQOSJTUQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13Cl2N/c1-11(4-5-14-7-11)9-3-2-8(12)6-10(9)13/h2-3,6,14H,4-5,7H2,1H3.
What are the key properties of 3-(2,4-dichlorophenyl)-3-methylpyrrolidine?
3-(2,4-dichlorophenyl)-3-methylpyrrolidine has a molecular weight of 230.14 g/mol, XLogP of 3.24, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dichlorophenyl)-3-methylpyrrolidine is sourced from PubChem (CID 62355170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).