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

C13H19N — CID 90278828

IUPAC1-[(3,5-dimethylphenyl)methyl]pyrrolidine
SMILESCc1cc(C)cc(CN2CCCC2)c1
InChIInChI=1S/C13H19N/c1-11-7-12(2)9-13(8-11)10-14-5-3-4-6-14/h7-9H,3-6,10H2,1-2H3
InChIKeyWKIBZLQWTUGJIG-UHFFFAOYSA-N
MW189.30 g/mol
LogP2.90
Rot. Bonds2

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

1-[(3,5-dimethylphenyl)methyl]pyrrolidine (PubChem CID 90278828) has the molecular formula C13H19N and a molecular weight of 189.30 g/mol. Its IUPAC name is 1-[(3,5-dimethylphenyl)methyl]pyrrolidine.

Molecular Properties

Compound Name1-[(3,5-dimethylphenyl)methyl]pyrrolidine
PubChem CID90278828
Molecular FormulaC13H19N
Molecular Weight189.30 g/mol
Exact Mass189.15
IUPAC Name1-[(3,5-dimethylphenyl)methyl]pyrrolidine
SMILESCc1cc(C)cc(CN2CCCC2)c1
InChIInChI=1S/C13H19N/c1-11-7-12(2)9-13(8-11)10-14-5-3-4-6-14/h7-9H,3-6,10H2,1-2H3
InChIKeyWKIBZLQWTUGJIG-UHFFFAOYSA-N
XLogP2.90
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.30
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-[(3,4,5-trimethylphenyl)methyl]piperidine
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4-bromo-1-[(3,5-dimethylphenyl)methyl]piperidine
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CID 166874622
1-[(4-methylphenyl)methyl]azepane
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1-[(3,5-dimethylphenyl)methyl]piperidin-3-amine;hydrochloride
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ethane;1-[(4-methylphenyl)methyl]piperidine
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1-[(3,5-dimethylphenyl)methyl]-N,4-dimethylpiperidin-4-amine
CID 113282864
3-methyl-5-(pyrrolidin-1-ylmethyl)benzene-1,2-diol
CID 91439677
1-[(3,5-dimethylphenyl)methyl]-3-methylpyrrolidine
CID 86880416
1-[(3,5-dimethylphenyl)methyl]azetidin-3-amine
CID 63760734
1-[(3,5-dimethylphenyl)methyl]-4-(4-fluorophenyl)piperazine
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Frequently Asked Questions

What is the IUPAC name of 1-[(3,5-dimethylphenyl)methyl]pyrrolidine?
The IUPAC name of 1-[(3,5-dimethylphenyl)methyl]pyrrolidine (CID 90278828) is 1-[(3,5-dimethylphenyl)methyl]pyrrolidine.
What is the SMILES notation for 1-[(3,5-dimethylphenyl)methyl]pyrrolidine?
The canonical SMILES for 1-[(3,5-dimethylphenyl)methyl]pyrrolidine is Cc1cc(C)cc(CN2CCCC2)c1.
What is the InChIKey of 1-[(3,5-dimethylphenyl)methyl]pyrrolidine?
The InChIKey is WKIBZLQWTUGJIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N/c1-11-7-12(2)9-13(8-11)10-14-5-3-4-6-14/h7-9H,3-6,10H2,1-2H3.
What are the key properties of 1-[(3,5-dimethylphenyl)methyl]pyrrolidine?
1-[(3,5-dimethylphenyl)methyl]pyrrolidine has a molecular weight of 189.30 g/mol, XLogP of 2.90, 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]pyrrolidine is sourced from PubChem (CID 90278828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).