1-(2-ethyl-6-methylphenyl)pyrrolidine

C13H19N — CID 168515642

IUPAC1-(2-ethyl-6-methylphenyl)pyrrolidine
SMILESCCc1cccc(C)c1N1CCCC1
InChIInChI=1S/C13H19N/c1-3-12-8-6-7-11(2)13(12)14-9-4-5-10-14/h6-8H,3-5,9-10H2,1-2H3
InChIKeyHKPLTOWFIUQWAK-UHFFFAOYSA-N
MW189.30 g/mol
LogP3.16
Rot. Bonds2

About 1-(2-ethyl-6-methylphenyl)pyrrolidine

1-(2-ethyl-6-methylphenyl)pyrrolidine (PubChem CID 168515642) has the molecular formula C13H19N and a molecular weight of 189.30 g/mol. Its IUPAC name is 1-(2-ethyl-6-methylphenyl)pyrrolidine.

Molecular Properties

Compound Name1-(2-ethyl-6-methylphenyl)pyrrolidine
PubChem CID168515642
Molecular FormulaC13H19N
Molecular Weight189.30 g/mol
Exact Mass189.15
IUPAC Name1-(2-ethyl-6-methylphenyl)pyrrolidine
SMILESCCc1cccc(C)c1N1CCCC1
InChIInChI=1S/C13H19N/c1-3-12-8-6-7-11(2)13(12)14-9-4-5-10-14/h6-8H,3-5,9-10H2,1-2H3
InChIKeyHKPLTOWFIUQWAK-UHFFFAOYSA-N
XLogP3.16
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 ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2,6-diethylphenyl)piperidine
CID 10608826
1-(2-ethyl-6-methylphenyl)piperidin-4-one
CID 117028332
1-(2-ethyl-6-methylphenyl)-3,3-dimethyl-1,4-diazocane
CID 117016490
1-(2-ethyl-6-methylphenyl)-4-(1-methylpiperidin-4-yl)piperidine
CID 59110945
cyclohexyl-[4-(2-ethyl-6-methylphenyl)piperazin-1-yl]methanone
CID 113075979
1-(2-ethyl-6-methylphenyl)azetidin-3-amine
CID 117002804
4-amino-1-(2-ethyl-6-methylphenyl)piperidine-4-carboxylic acid
CID 117011778
2-(2-ethyl-6-methylphenyl)thiazinane 1,1-dioxide
CID 82088264
1-(2,6-diethylphenyl)-4-methylpiperazine
CID 58732893
methyl 1-(2-ethyl-6-methylphenyl)pyrrolidine-3-carboxylate
CID 117028348
ethyl 3-methyl-2-pyrrolidin-1-ylbenzoate
CID 168513962
2-(azocan-1-yl)-3-methylaniline
CID 115549922

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethyl-6-methylphenyl)pyrrolidine?
The IUPAC name of 1-(2-ethyl-6-methylphenyl)pyrrolidine (CID 168515642) is 1-(2-ethyl-6-methylphenyl)pyrrolidine.
What is the SMILES notation for 1-(2-ethyl-6-methylphenyl)pyrrolidine?
The canonical SMILES for 1-(2-ethyl-6-methylphenyl)pyrrolidine is CCc1cccc(C)c1N1CCCC1.
What is the InChIKey of 1-(2-ethyl-6-methylphenyl)pyrrolidine?
The InChIKey is HKPLTOWFIUQWAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N/c1-3-12-8-6-7-11(2)13(12)14-9-4-5-10-14/h6-8H,3-5,9-10H2,1-2H3.
What are the key properties of 1-(2-ethyl-6-methylphenyl)pyrrolidine?
1-(2-ethyl-6-methylphenyl)pyrrolidine has a molecular weight of 189.30 g/mol, XLogP of 3.16, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethyl-6-methylphenyl)pyrrolidine is sourced from PubChem (CID 168515642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).