1-[(3,5-dimethylphenyl)methyl]-3-methylpyrrolidine

C14H21N — CID 86880416

IUPAC1-[(3,5-dimethylphenyl)methyl]-3-methylpyrrolidine
SMILESCc1cc(C)cc(CN2CCC(C)C2)c1
InChIInChI=1S/C14H21N/c1-11-4-5-15(9-11)10-14-7-12(2)6-13(3)8-14/h6-8,11H,4-5,9-10H2,1-3H3
InChIKeyHAOUSYMOFHWVDT-UHFFFAOYSA-N
MW203.33 g/mol
LogP3.15
Rot. Bonds2

About 1-[(3,5-dimethylphenyl)methyl]-3-methylpyrrolidine

1-[(3,5-dimethylphenyl)methyl]-3-methylpyrrolidine (PubChem CID 86880416) has the molecular formula C14H21N and a molecular weight of 203.33 g/mol. Its IUPAC name is 1-[(3,5-dimethylphenyl)methyl]-3-methylpyrrolidine.

Molecular Properties

Compound Name1-[(3,5-dimethylphenyl)methyl]-3-methylpyrrolidine
PubChem CID86880416
Molecular FormulaC14H21N
Molecular Weight203.33 g/mol
Exact Mass203.17
IUPAC Name1-[(3,5-dimethylphenyl)methyl]-3-methylpyrrolidine
SMILESCc1cc(C)cc(CN2CCC(C)C2)c1
InChIInChI=1S/C14H21N/c1-11-4-5-15(9-11)10-14-7-12(2)6-13(3)8-14/h6-8,11H,4-5,9-10H2,1-3H3
InChIKeyHAOUSYMOFHWVDT-UHFFFAOYSA-N
XLogP3.15
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.33
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[(3,5-dimethylphenyl)methyl]-3-methylpyrrolidine?
The IUPAC name of 1-[(3,5-dimethylphenyl)methyl]-3-methylpyrrolidine (CID 86880416) is 1-[(3,5-dimethylphenyl)methyl]-3-methylpyrrolidine.
What is the SMILES notation for 1-[(3,5-dimethylphenyl)methyl]-3-methylpyrrolidine?
The canonical SMILES for 1-[(3,5-dimethylphenyl)methyl]-3-methylpyrrolidine is Cc1cc(C)cc(CN2CCC(C)C2)c1.
What is the InChIKey of 1-[(3,5-dimethylphenyl)methyl]-3-methylpyrrolidine?
The InChIKey is HAOUSYMOFHWVDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N/c1-11-4-5-15(9-11)10-14-7-12(2)6-13(3)8-14/h6-8,11H,4-5,9-10H2,1-3H3.
What are the key properties of 1-[(3,5-dimethylphenyl)methyl]-3-methylpyrrolidine?
1-[(3,5-dimethylphenyl)methyl]-3-methylpyrrolidine has a molecular weight of 203.33 g/mol, XLogP of 3.15, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,5-dimethylphenyl)methyl]-3-methylpyrrolidine is sourced from PubChem (CID 86880416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).