3-(3,4-dichlorophenyl)-1-methylpyrrolidine

C11H13Cl2N — CID 67174764

IUPAC3-(3,4-dichlorophenyl)-1-methylpyrrolidine
SMILESCN1CCC(c2ccc(Cl)c(Cl)c2)C1
InChIInChI=1S/C11H13Cl2N/c1-14-5-4-9(7-14)8-2-3-10(12)11(13)6-8/h2-3,6,9H,4-5,7H2,1H3
InChIKeyMXTXBRDOYJHMCD-UHFFFAOYSA-N
MW230.14 g/mol
LogP3.41
Rot. Bonds1

About 3-(3,4-dichlorophenyl)-1-methylpyrrolidine

3-(3,4-dichlorophenyl)-1-methylpyrrolidine (PubChem CID 67174764) has the molecular formula C11H13Cl2N and a molecular weight of 230.14 g/mol. Its IUPAC name is 3-(3,4-dichlorophenyl)-1-methylpyrrolidine.

Molecular Properties

Compound Name3-(3,4-dichlorophenyl)-1-methylpyrrolidine
PubChem CID67174764
Molecular FormulaC11H13Cl2N
Molecular Weight230.14 g/mol
Exact Mass229.04
IUPAC Name3-(3,4-dichlorophenyl)-1-methylpyrrolidine
SMILESCN1CCC(c2ccc(Cl)c(Cl)c2)C1
InChIInChI=1S/C11H13Cl2N/c1-14-5-4-9(7-14)8-2-3-10(12)11(13)6-8/h2-3,6,9H,4-5,7H2,1H3
InChIKeyMXTXBRDOYJHMCD-UHFFFAOYSA-N
XLogP3.41
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.14
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Amitifadine
CID 11658655
N-(2-(3,4-Dichlorophenyl)ethyl)-N-methyl-1-pyrrolidineethanamine
CID 126388
N1-(2-(3,4-Dichlorophenyl)ethyl)-N1,N2,N2-trimethyl-1,2-ethanediamine
CID 188914
3-Azabicyclo(3.1.0)hexane, 1-(3,4-dichlorophenyl)-, hydrochloride
CID 11680542
1-(2-(3,4-Dichlorophenyl)ethyl)-4-methylpiperazine
CID 574780
1-(3,4-Dichlorophenyl)-3-azabicyclo[3.1.0]hexane
CID 9795276
3-(3,4-Dichlorophenyl)-2-nortropene
CID 10220657
(RS/SR)-2-[1-(3,4-dichlorophenyl)butyl]piperidine
CID 16102764
1-[2-(3,4-Dichlorophenyl)ethyl]-4-propylpiperazine
CID 587944
Lauryldimethyl-3,4-dichlorobenzylammonium chloride
CID 7605
BD 1063 Dihydrochloride
CID 11617161
(2-Azepan-1-yl-ethyl)-[2-(3,4-dichloro-phenyl)-ethyl]-methyl-amine
CID 5026275

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dichlorophenyl)-1-methylpyrrolidine?
The IUPAC name of 3-(3,4-dichlorophenyl)-1-methylpyrrolidine (CID 67174764) is 3-(3,4-dichlorophenyl)-1-methylpyrrolidine.
What is the SMILES notation for 3-(3,4-dichlorophenyl)-1-methylpyrrolidine?
The canonical SMILES for 3-(3,4-dichlorophenyl)-1-methylpyrrolidine is CN1CCC(c2ccc(Cl)c(Cl)c2)C1.
What is the InChIKey of 3-(3,4-dichlorophenyl)-1-methylpyrrolidine?
The InChIKey is MXTXBRDOYJHMCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13Cl2N/c1-14-5-4-9(7-14)8-2-3-10(12)11(13)6-8/h2-3,6,9H,4-5,7H2,1H3.
What are the key properties of 3-(3,4-dichlorophenyl)-1-methylpyrrolidine?
3-(3,4-dichlorophenyl)-1-methylpyrrolidine has a molecular weight of 230.14 g/mol, XLogP of 3.41, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dichlorophenyl)-1-methylpyrrolidine is sourced from PubChem (CID 67174764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).