2-[(3,4,5-trimethylphenyl)methyl]pyrrolidine

C14H21N — CID 117292011

IUPAC2-[(3,4,5-trimethylphenyl)methyl]pyrrolidine
SMILESCc1cc(CC2CCCN2)cc(C)c1C
InChIInChI=1S/C14H21N/c1-10-7-13(8-11(2)12(10)3)9-14-5-4-6-15-14/h7-8,14-15H,4-6,9H2,1-3H3
InChIKeyQFRUNIMSLRACHQ-UHFFFAOYSA-N
MW203.33 g/mol
LogP2.91
Rot. Bonds2

About 2-[(3,4,5-trimethylphenyl)methyl]pyrrolidine

2-[(3,4,5-trimethylphenyl)methyl]pyrrolidine (PubChem CID 117292011) has the molecular formula C14H21N and a molecular weight of 203.33 g/mol. Its IUPAC name is 2-[(3,4,5-trimethylphenyl)methyl]pyrrolidine.

Molecular Properties

Compound Name2-[(3,4,5-trimethylphenyl)methyl]pyrrolidine
PubChem CID117292011
Molecular FormulaC14H21N
Molecular Weight203.33 g/mol
Exact Mass203.17
IUPAC Name2-[(3,4,5-trimethylphenyl)methyl]pyrrolidine
SMILESCc1cc(CC2CCCN2)cc(C)c1C
InChIInChI=1S/C14H21N/c1-10-7-13(8-11(2)12(10)3)9-14-5-4-6-15-14/h7-8,14-15H,4-6,9H2,1-3H3
InChIKeyQFRUNIMSLRACHQ-UHFFFAOYSA-N
XLogP2.91
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 ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2,3-dimethyl-5-(piperidin-2-ylmethyl)benzonitrile
CID 117329251
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2-methoxy-6-methyl-4-(pyrrolidin-2-ylmethyl)phenol
CID 117316517
2-[(4-methylphenyl)methyl]pyrrolidine
CID 3510571
2,3,5,6-tetramethyl-N-(pyrrolidin-2-ylmethyl)aniline
CID 115208055
(2S)-2-[(3-fluoro-4-methylphenyl)methyl]pyrrolidine
CID 58580794
2-[(9-methyl-2,3,4,5-tetrahydro-1-benzoxepin-7-yl)methyl]pyrrolidine
CID 82244186
2-[(3,4,5-trifluorophenyl)methyl]pyrrolidine
CID 104688006
2-[(3-methyl-4-methylsulfonylphenyl)methyl]piperidine
CID 117422361
2-methoxy-3-methyl-5-(piperidin-2-ylmethyl)phenol
CID 117342833
2-[(2,3-dimethyl-5-methylsulfanylphenyl)methyl]pyrrolidine
CID 117343801
2,3,5-trimethyl-4-(pyrrolidin-2-ylmethyl)phenol
CID 117118250

Frequently Asked Questions

What is the IUPAC name of 2-[(3,4,5-trimethylphenyl)methyl]pyrrolidine?
The IUPAC name of 2-[(3,4,5-trimethylphenyl)methyl]pyrrolidine (CID 117292011) is 2-[(3,4,5-trimethylphenyl)methyl]pyrrolidine.
What is the SMILES notation for 2-[(3,4,5-trimethylphenyl)methyl]pyrrolidine?
The canonical SMILES for 2-[(3,4,5-trimethylphenyl)methyl]pyrrolidine is Cc1cc(CC2CCCN2)cc(C)c1C.
What is the InChIKey of 2-[(3,4,5-trimethylphenyl)methyl]pyrrolidine?
The InChIKey is QFRUNIMSLRACHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N/c1-10-7-13(8-11(2)12(10)3)9-14-5-4-6-15-14/h7-8,14-15H,4-6,9H2,1-3H3.
What are the key properties of 2-[(3,4,5-trimethylphenyl)methyl]pyrrolidine?
2-[(3,4,5-trimethylphenyl)methyl]pyrrolidine has a molecular weight of 203.33 g/mol, XLogP of 2.91, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,4,5-trimethylphenyl)methyl]pyrrolidine is sourced from PubChem (CID 117292011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).