2,4-dimethyl-3-(3-methylphenyl)pyrrolidine

C13H19N — CID 130952107

IUPAC2,4-dimethyl-3-(3-methylphenyl)pyrrolidine
SMILESCc1cccc(C2C(C)CNC2C)c1
InChIInChI=1S/C13H19N/c1-9-5-4-6-12(7-9)13-10(2)8-14-11(13)3/h4-7,10-11,13-14H,8H2,1-3H3
InChIKeyIFSDPKWJIONSBR-UHFFFAOYSA-N
MW189.30 g/mol
LogP2.71
Rot. Bonds1

About 2,4-dimethyl-3-(3-methylphenyl)pyrrolidine

2,4-dimethyl-3-(3-methylphenyl)pyrrolidine (PubChem CID 130952107) has the molecular formula C13H19N and a molecular weight of 189.30 g/mol. Its IUPAC name is 2,4-dimethyl-3-(3-methylphenyl)pyrrolidine.

Molecular Properties

Compound Name2,4-dimethyl-3-(3-methylphenyl)pyrrolidine
PubChem CID130952107
Molecular FormulaC13H19N
Molecular Weight189.30 g/mol
Exact Mass189.15
IUPAC Name2,4-dimethyl-3-(3-methylphenyl)pyrrolidine
SMILESCc1cccc(C2C(C)CNC2C)c1
InChIInChI=1S/C13H19N/c1-9-5-4-6-12(7-9)13-10(2)8-14-11(13)3/h4-7,10-11,13-14H,8H2,1-3H3
InChIKeyIFSDPKWJIONSBR-UHFFFAOYSA-N
XLogP2.71
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.30
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2,4-dimethyl-3-phenylpyrrolidine
CID 130987644
2-methyl-3-(3-methylphenyl)piperazine
CID 116829299
(2S,5S)-5-methyl-2-(3-methylphenyl)morpholine
CID 39238398
1-methyl-3-[(1S,2R)-2-methylcyclopentyl]benzene
CID 58641993
(2R)-2-(3-methylphenyl)morpholine
CID 42182782
4-(3-methylphenyl)-3-phenylpiperidine
CID 79312119
2-methyl-3-(3-methylphenyl)oxirane
CID 72951776
trans-(1S,2S)-2-(3-methylphenyl)cyclopropane-1-carboxylic acid
CID 28912189
4-ethyl-4-methyl-3-(3-methylphenyl)piperidine
CID 79442417
3-(2-methylcyclohexyl)-2-(3-methylphenyl)imidazolidin-4-one
CID 83236888
[(3R,4R)-4-(3-methylphenyl)pyrrolidin-3-yl]methanol
CID 98006633
trans-(1R,3R)-3-(3-methylphenyl)cyclopentane-1-carboxylic acid
CID 95438610

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-3-(3-methylphenyl)pyrrolidine?
The IUPAC name of 2,4-dimethyl-3-(3-methylphenyl)pyrrolidine (CID 130952107) is 2,4-dimethyl-3-(3-methylphenyl)pyrrolidine.
What is the SMILES notation for 2,4-dimethyl-3-(3-methylphenyl)pyrrolidine?
The canonical SMILES for 2,4-dimethyl-3-(3-methylphenyl)pyrrolidine is Cc1cccc(C2C(C)CNC2C)c1.
What is the InChIKey of 2,4-dimethyl-3-(3-methylphenyl)pyrrolidine?
The InChIKey is IFSDPKWJIONSBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N/c1-9-5-4-6-12(7-9)13-10(2)8-14-11(13)3/h4-7,10-11,13-14H,8H2,1-3H3.
What are the key properties of 2,4-dimethyl-3-(3-methylphenyl)pyrrolidine?
2,4-dimethyl-3-(3-methylphenyl)pyrrolidine has a molecular weight of 189.30 g/mol, XLogP of 2.71, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-3-(3-methylphenyl)pyrrolidine is sourced from PubChem (CID 130952107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).