3-[(3-chlorophenyl)methyl]-2,2-dimethylpyrrolidine

C13H18ClN — CID 83823135

IUPAC3-[(3-chlorophenyl)methyl]-2,2-dimethylpyrrolidine
SMILESCC1(C)NCCC1Cc1cccc(Cl)c1
InChIInChI=1S/C13H18ClN/c1-13(2)11(6-7-15-13)8-10-4-3-5-12(14)9-10/h3-5,9,11,15H,6-8H2,1-2H3
InChIKeyGEKWDYVCHXHIBP-UHFFFAOYSA-N
MW223.75 g/mol
LogP3.27
Rot. Bonds2

About 3-[(3-chlorophenyl)methyl]-2,2-dimethylpyrrolidine

3-[(3-chlorophenyl)methyl]-2,2-dimethylpyrrolidine (PubChem CID 83823135) has the molecular formula C13H18ClN and a molecular weight of 223.75 g/mol. Its IUPAC name is 3-[(3-chlorophenyl)methyl]-2,2-dimethylpyrrolidine.

Molecular Properties

Compound Name3-[(3-chlorophenyl)methyl]-2,2-dimethylpyrrolidine
PubChem CID83823135
Molecular FormulaC13H18ClN
Molecular Weight223.75 g/mol
Exact Mass223.11
IUPAC Name3-[(3-chlorophenyl)methyl]-2,2-dimethylpyrrolidine
SMILESCC1(C)NCCC1Cc1cccc(Cl)c1
InChIInChI=1S/C13H18ClN/c1-13(2)11(6-7-15-13)8-10-4-3-5-12(14)9-10/h3-5,9,11,15H,6-8H2,1-2H3
InChIKeyGEKWDYVCHXHIBP-UHFFFAOYSA-N
XLogP3.27
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.75
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2,2-dimethyl-3-[(3-methylphenyl)methyl]pyrrolidine
CID 83819660
4-[(3-chlorophenyl)methyl]-3,3-difluoropiperidine
CID 84705382
2-[(3-chlorophenyl)methyl]-4-azaspiro[2.5]octane-7-carboxamide
CID 175726800
7-[(3-chlorophenyl)methyl]-5-oxadispiro[2.0.24.33]nonane
CID 86653816
(2S)-2-[(3-chlorophenyl)methyl]pyrrolidine
CID 7022802
1-[(3-chlorophenyl)methyl]-3-ethyl-3,7-dimethyl-1,4-diazepane
CID 64871428
(2S)-2-[(3-chlorophenyl)methyl]pyrrolidin-1-ium
CID 7022801
3-[(3-chlorophenyl)methyl]cyclobutan-1-amine
CID 142422934
2-[(3-chlorophenyl)methyl]azepane
CID 5094056
N-[(3-chlorophenyl)methyl]-N-methylcyclopropanamine
CID 130877387
2-[(3-chlorophenyl)methyl]-2-methylpyrrolidine;hydrochloride
CID 122156828
5-[(3-chlorophenyl)methyl]-7,7-dioxo-7λ6-thia-10-azaspiro[5.6]dodecan-11-one
CID 19992129

Frequently Asked Questions

What is the IUPAC name of 3-[(3-chlorophenyl)methyl]-2,2-dimethylpyrrolidine?
The IUPAC name of 3-[(3-chlorophenyl)methyl]-2,2-dimethylpyrrolidine (CID 83823135) is 3-[(3-chlorophenyl)methyl]-2,2-dimethylpyrrolidine.
What is the SMILES notation for 3-[(3-chlorophenyl)methyl]-2,2-dimethylpyrrolidine?
The canonical SMILES for 3-[(3-chlorophenyl)methyl]-2,2-dimethylpyrrolidine is CC1(C)NCCC1Cc1cccc(Cl)c1.
What is the InChIKey of 3-[(3-chlorophenyl)methyl]-2,2-dimethylpyrrolidine?
The InChIKey is GEKWDYVCHXHIBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN/c1-13(2)11(6-7-15-13)8-10-4-3-5-12(14)9-10/h3-5,9,11,15H,6-8H2,1-2H3.
What are the key properties of 3-[(3-chlorophenyl)methyl]-2,2-dimethylpyrrolidine?
3-[(3-chlorophenyl)methyl]-2,2-dimethylpyrrolidine has a molecular weight of 223.75 g/mol, XLogP of 3.27, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-chlorophenyl)methyl]-2,2-dimethylpyrrolidine is sourced from PubChem (CID 83823135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).