3-[(3,4-dichlorophenyl)methyl]pyrrolidine

C11H13Cl2N — CID 82158944

IUPAC3-[(3,4-dichlorophenyl)methyl]pyrrolidine
SMILESClc1ccc(CC2CCNC2)cc1Cl
InChIInChI=1S/C11H13Cl2N/c12-10-2-1-8(6-11(10)13)5-9-3-4-14-7-9/h1-2,6,9,14H,3-5,7H2
InChIKeyIAUOYBGFQWZMFD-UHFFFAOYSA-N
MW230.14 g/mol
LogP3.15
Rot. Bonds2

About 3-[(3,4-dichlorophenyl)methyl]pyrrolidine

3-[(3,4-dichlorophenyl)methyl]pyrrolidine (PubChem CID 82158944) has the molecular formula C11H13Cl2N and a molecular weight of 230.14 g/mol. Its IUPAC name is 3-[(3,4-dichlorophenyl)methyl]pyrrolidine.

Molecular Properties

Compound Name3-[(3,4-dichlorophenyl)methyl]pyrrolidine
PubChem CID82158944
Molecular FormulaC11H13Cl2N
Molecular Weight230.14 g/mol
Exact Mass229.04
IUPAC Name3-[(3,4-dichlorophenyl)methyl]pyrrolidine
SMILESClc1ccc(CC2CCNC2)cc1Cl
InChIInChI=1S/C11H13Cl2N/c12-10-2-1-8(6-11(10)13)5-9-3-4-14-7-9/h1-2,6,9,14H,3-5,7H2
InChIKeyIAUOYBGFQWZMFD-UHFFFAOYSA-N
XLogP3.15
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.14
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-[(4-bromo-3-chlorophenyl)methyl]pyrrolidine
CID 84713943
4-[(3,4-dichlorophenyl)methyl]azepane
CID 83261164
2-chloro-N,N-dimethyl-4-(pyrrolidin-3-ylmethyl)aniline
CID 84799410
6-[(3,4-dichlorophenyl)methyl]-1,4-oxazepane
CID 82301345
(3R)-3-[(4-fluorophenyl)methyl]pyrrolidine
CID 86309434
3-[(3-chloro-5-fluoro-4-methoxyphenyl)methyl]pyrrolidine
CID 84802170
4-[(3,4-dichlorophenyl)methyl]cyclohexan-1-amine
CID 83262000
3-[[4-(fluoromethyl)phenyl]methyl]pyrrolidine
CID 84665010
4-[3-(3,4-dichlorophenyl)propyl]piperidine;hydrochloride
CID 3059025
3-[[4-chloro-3-(cyclopropylmethoxy)phenyl]methyl]piperidine
CID 117449060
3-[(3-methylphenyl)methyl]pyrrolidine
CID 55252909
6-(pyrrolidin-3-ylmethyl)-1,2-benzoxazole
CID 84776800

Frequently Asked Questions

What is the IUPAC name of 3-[(3,4-dichlorophenyl)methyl]pyrrolidine?
The IUPAC name of 3-[(3,4-dichlorophenyl)methyl]pyrrolidine (CID 82158944) is 3-[(3,4-dichlorophenyl)methyl]pyrrolidine.
What is the SMILES notation for 3-[(3,4-dichlorophenyl)methyl]pyrrolidine?
The canonical SMILES for 3-[(3,4-dichlorophenyl)methyl]pyrrolidine is Clc1ccc(CC2CCNC2)cc1Cl.
What is the InChIKey of 3-[(3,4-dichlorophenyl)methyl]pyrrolidine?
The InChIKey is IAUOYBGFQWZMFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13Cl2N/c12-10-2-1-8(6-11(10)13)5-9-3-4-14-7-9/h1-2,6,9,14H,3-5,7H2.
What are the key properties of 3-[(3,4-dichlorophenyl)methyl]pyrrolidine?
3-[(3,4-dichlorophenyl)methyl]pyrrolidine has a molecular weight of 230.14 g/mol, XLogP of 3.15, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,4-dichlorophenyl)methyl]pyrrolidine is sourced from PubChem (CID 82158944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).