3-ethyl-1-[(4-methylphenyl)methyl]pyrrolidine

C14H21N — CID 144719735

IUPAC3-ethyl-1-[(4-methylphenyl)methyl]pyrrolidine
SMILESCCC1CCN(Cc2ccc(C)cc2)C1
InChIInChI=1S/C14H21N/c1-3-13-8-9-15(10-13)11-14-6-4-12(2)5-7-14/h4-7,13H,3,8-11H2,1-2H3
InChIKeyWLKNQUFFOJXWCD-UHFFFAOYSA-N
MW203.33 g/mol
LogP3.23
Rot. Bonds3

About 3-ethyl-1-[(4-methylphenyl)methyl]pyrrolidine

3-ethyl-1-[(4-methylphenyl)methyl]pyrrolidine (PubChem CID 144719735) has the molecular formula C14H21N and a molecular weight of 203.33 g/mol. Its IUPAC name is 3-ethyl-1-[(4-methylphenyl)methyl]pyrrolidine.

Molecular Properties

Compound Name3-ethyl-1-[(4-methylphenyl)methyl]pyrrolidine
PubChem CID144719735
Molecular FormulaC14H21N
Molecular Weight203.33 g/mol
Exact Mass203.17
IUPAC Name3-ethyl-1-[(4-methylphenyl)methyl]pyrrolidine
SMILESCCC1CCN(Cc2ccc(C)cc2)C1
InChIInChI=1S/C14H21N/c1-3-13-8-9-15(10-13)11-14-6-4-12(2)5-7-14/h4-7,13H,3,8-11H2,1-2H3
InChIKeyWLKNQUFFOJXWCD-UHFFFAOYSA-N
XLogP3.23
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.33
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-ethyl-1-[(4-methylphenyl)methyl]piperidine
CID 144879966
1-benzyl-3-ethylpyrrolidine
CID 12648208
4-[1-[(4-methylphenyl)methyl]pyrrolidin-3-yl]butan-2-one
CID 83980859
methyl 2-[1-[(4-methylphenyl)methyl]pyrrolidin-3-yl]acetate
CID 83980816
3-chloro-4-methyl-1-[(4-methylphenyl)methyl]piperidine
CID 102960231
1-[(4-methylphenyl)methyl]piperidin-4-amine;hydrochloride
CID 17221614
2-[1-[(4-methylphenyl)methyl]piperidin-4-yl]ethanamine
CID 17221513
3-(bromomethyl)-1-[(4-ethylphenyl)methyl]pyrrolidine
CID 80689924
1-[[1-[(4-methylphenyl)methyl]pyrrolidin-3-yl]methyl]piperidine-4-carboxamide
CID 175941734
1-[(4-bromophenyl)methyl]-4-ethylpiperidine
CID 63456491
4-benzyl-1-[(4-methylphenyl)methyl]piperidine
CID 3498504
4-[[(3R)-3-ethylpiperidin-1-yl]methyl]-N,N-dimethylaniline
CID 145119279

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-[(4-methylphenyl)methyl]pyrrolidine?
The IUPAC name of 3-ethyl-1-[(4-methylphenyl)methyl]pyrrolidine (CID 144719735) is 3-ethyl-1-[(4-methylphenyl)methyl]pyrrolidine.
What is the SMILES notation for 3-ethyl-1-[(4-methylphenyl)methyl]pyrrolidine?
The canonical SMILES for 3-ethyl-1-[(4-methylphenyl)methyl]pyrrolidine is CCC1CCN(Cc2ccc(C)cc2)C1.
What is the InChIKey of 3-ethyl-1-[(4-methylphenyl)methyl]pyrrolidine?
The InChIKey is WLKNQUFFOJXWCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N/c1-3-13-8-9-15(10-13)11-14-6-4-12(2)5-7-14/h4-7,13H,3,8-11H2,1-2H3.
What are the key properties of 3-ethyl-1-[(4-methylphenyl)methyl]pyrrolidine?
3-ethyl-1-[(4-methylphenyl)methyl]pyrrolidine has a molecular weight of 203.33 g/mol, XLogP of 3.23, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-[(4-methylphenyl)methyl]pyrrolidine is sourced from PubChem (CID 144719735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).