2,2-dimethyl-3-[(3-methylphenyl)methyl]pyrrolidine

C14H21N — CID 83819660

IUPAC2,2-dimethyl-3-[(3-methylphenyl)methyl]pyrrolidine
SMILESCc1cccc(CC2CCNC2(C)C)c1
InChIInChI=1S/C14H21N/c1-11-5-4-6-12(9-11)10-13-7-8-15-14(13,2)3/h4-6,9,13,15H,7-8,10H2,1-3H3
InChIKeyPQYUAUYLYWZMTK-UHFFFAOYSA-N
MW203.33 g/mol
LogP2.93
Rot. Bonds2

About 2,2-dimethyl-3-[(3-methylphenyl)methyl]pyrrolidine

2,2-dimethyl-3-[(3-methylphenyl)methyl]pyrrolidine (PubChem CID 83819660) has the molecular formula C14H21N and a molecular weight of 203.33 g/mol. Its IUPAC name is 2,2-dimethyl-3-[(3-methylphenyl)methyl]pyrrolidine.

Molecular Properties

Compound Name2,2-dimethyl-3-[(3-methylphenyl)methyl]pyrrolidine
PubChem CID83819660
Molecular FormulaC14H21N
Molecular Weight203.33 g/mol
Exact Mass203.17
IUPAC Name2,2-dimethyl-3-[(3-methylphenyl)methyl]pyrrolidine
SMILESCc1cccc(CC2CCNC2(C)C)c1
InChIInChI=1S/C14H21N/c1-11-5-4-6-12(9-11)10-13-7-8-15-14(13,2)3/h4-6,9,13,15H,7-8,10H2,1-3H3
InChIKeyPQYUAUYLYWZMTK-UHFFFAOYSA-N
XLogP2.93
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.33
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-[(3-chlorophenyl)methyl]-2,2-dimethylpyrrolidine
CID 83823135
2-[(3-methylphenyl)methyl]pyrrolidin-3-ol
CID 83829836
3-[(3-methylphenyl)methyl]pyrrolidine
CID 55252909
3-[(3-methylphenyl)methyl]piperidine
CID 17039519
(3S)-3-[(3-methylphenyl)methyl]piperidine
CID 39345685
N,2,2-trimethyl-N-(3-methylphenyl)piperidin-4-amine
CID 115145443
2,2-dimethyl-4-[(3-methylphenyl)methyl]oxane
CID 90245552
1-methyl-3-[(3-methylcyclopentyl)methyl]benzene
CID 123940135
2-deuterio-7-[(3-methylphenyl)methyl]-2-azaspiro[3.5]nonane
CID 175699539
(6R)-6-[(3-methylphenyl)methyl]-2-azaspiro[3.4]octane
CID 170784978
3-[(3-methylphenyl)methyl]azepan-2-one
CID 104679648
N-[(3-methylphenyl)methyl]cyclopropanamine
CID 16776498

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-[(3-methylphenyl)methyl]pyrrolidine?
The IUPAC name of 2,2-dimethyl-3-[(3-methylphenyl)methyl]pyrrolidine (CID 83819660) is 2,2-dimethyl-3-[(3-methylphenyl)methyl]pyrrolidine.
What is the SMILES notation for 2,2-dimethyl-3-[(3-methylphenyl)methyl]pyrrolidine?
The canonical SMILES for 2,2-dimethyl-3-[(3-methylphenyl)methyl]pyrrolidine is Cc1cccc(CC2CCNC2(C)C)c1.
What is the InChIKey of 2,2-dimethyl-3-[(3-methylphenyl)methyl]pyrrolidine?
The InChIKey is PQYUAUYLYWZMTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N/c1-11-5-4-6-12(9-11)10-13-7-8-15-14(13,2)3/h4-6,9,13,15H,7-8,10H2,1-3H3.
What are the key properties of 2,2-dimethyl-3-[(3-methylphenyl)methyl]pyrrolidine?
2,2-dimethyl-3-[(3-methylphenyl)methyl]pyrrolidine has a molecular weight of 203.33 g/mol, XLogP of 2.93, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-[(3-methylphenyl)methyl]pyrrolidine is sourced from PubChem (CID 83819660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).