3-[(4-chlorophenyl)methyl]-1-methylpyrrolidine

C12H16ClN — CID 70566660

IUPAC3-[(4-chlorophenyl)methyl]-1-methylpyrrolidine
SMILESCN1CCC(Cc2ccc(Cl)cc2)C1
InChIInChI=1S/C12H16ClN/c1-14-7-6-11(9-14)8-10-2-4-12(13)5-3-10/h2-5,11H,6-9H2,1H3
InChIKeyYDHPDNYDISVHNJ-UHFFFAOYSA-N
MW209.72 g/mol
LogP2.83
Rot. Bonds2

About 3-[(4-chlorophenyl)methyl]-1-methylpyrrolidine

3-[(4-chlorophenyl)methyl]-1-methylpyrrolidine (PubChem CID 70566660) has the molecular formula C12H16ClN and a molecular weight of 209.72 g/mol. Its IUPAC name is 3-[(4-chlorophenyl)methyl]-1-methylpyrrolidine.

Molecular Properties

Compound Name3-[(4-chlorophenyl)methyl]-1-methylpyrrolidine
PubChem CID70566660
Molecular FormulaC12H16ClN
Molecular Weight209.72 g/mol
Exact Mass209.10
IUPAC Name3-[(4-chlorophenyl)methyl]-1-methylpyrrolidine
SMILESCN1CCC(Cc2ccc(Cl)cc2)C1
InChIInChI=1S/C12H16ClN/c1-14-7-6-11(9-14)8-10-2-4-12(13)5-3-10/h2-5,11H,6-9H2,1H3
InChIKeyYDHPDNYDISVHNJ-UHFFFAOYSA-N
XLogP2.83
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.72
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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1-but-3-ynyl-4-[(4-chlorophenyl)methyl]piperidine
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CID 76964774
4-[(4-chlorophenyl)methyl]-1-(1-methylsulfanylethyl)piperidine
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4-[3-[(4-chlorophenyl)methyl]pyrrolidin-1-yl]-6-methylpyrimidine
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4-benzyl-1-methylpiperidine;ethane
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1-[4-[(4-chlorophenyl)methyl]piperidin-1-yl]-2,2-dimethylpropan-1-one
CID 142714451
N-[2-(4-chlorophenyl)ethyl]-1-methylpyrrolidine-3-carboxamide
CID 110853463
3-[3-[(4-chlorophenyl)methyl]azetidin-1-yl]propan-1-amine
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CID 59165688

Frequently Asked Questions

What is the IUPAC name of 3-[(4-chlorophenyl)methyl]-1-methylpyrrolidine?
The IUPAC name of 3-[(4-chlorophenyl)methyl]-1-methylpyrrolidine (CID 70566660) is 3-[(4-chlorophenyl)methyl]-1-methylpyrrolidine.
What is the SMILES notation for 3-[(4-chlorophenyl)methyl]-1-methylpyrrolidine?
The canonical SMILES for 3-[(4-chlorophenyl)methyl]-1-methylpyrrolidine is CN1CCC(Cc2ccc(Cl)cc2)C1.
What is the InChIKey of 3-[(4-chlorophenyl)methyl]-1-methylpyrrolidine?
The InChIKey is YDHPDNYDISVHNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN/c1-14-7-6-11(9-14)8-10-2-4-12(13)5-3-10/h2-5,11H,6-9H2,1H3.
What are the key properties of 3-[(4-chlorophenyl)methyl]-1-methylpyrrolidine?
3-[(4-chlorophenyl)methyl]-1-methylpyrrolidine has a molecular weight of 209.72 g/mol, XLogP of 2.83, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-chlorophenyl)methyl]-1-methylpyrrolidine is sourced from PubChem (CID 70566660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).