4-(3-ethylphenyl)-2-methylpyrrolidine

C13H19N — CID 126676814

IUPAC4-(3-ethylphenyl)-2-methylpyrrolidine
SMILESCCc1cccc(C2CNC(C)C2)c1
InChIInChI=1S/C13H19N/c1-3-11-5-4-6-12(8-11)13-7-10(2)14-9-13/h4-6,8,10,13-14H,3,7,9H2,1-2H3
InChIKeyAAPTUMJQCZXWCU-UHFFFAOYSA-N
MW189.30 g/mol
LogP2.71
Rot. Bonds2

About 4-(3-ethylphenyl)-2-methylpyrrolidine

4-(3-ethylphenyl)-2-methylpyrrolidine (PubChem CID 126676814) has the molecular formula C13H19N and a molecular weight of 189.30 g/mol. Its IUPAC name is 4-(3-ethylphenyl)-2-methylpyrrolidine.

Molecular Properties

Compound Name4-(3-ethylphenyl)-2-methylpyrrolidine
PubChem CID126676814
Molecular FormulaC13H19N
Molecular Weight189.30 g/mol
Exact Mass189.15
IUPAC Name4-(3-ethylphenyl)-2-methylpyrrolidine
SMILESCCc1cccc(C2CNC(C)C2)c1
InChIInChI=1S/C13H19N/c1-3-11-5-4-6-12(8-11)13-7-10(2)14-9-13/h4-6,8,10,13-14H,3,7,9H2,1-2H3
InChIKeyAAPTUMJQCZXWCU-UHFFFAOYSA-N
XLogP2.71
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
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

3-(5-methylpyrrolidin-3-yl)phenol;hydrochloride
CID 161066750
ethane;2-methyl-4-phenylpyrrolidine
CID 176952755
(3S)-3-(3-ethylphenyl)pyrrolidine
CID 130943916
tert-butyl 3-[(3R,5R)-5-methylpyrrolidin-3-yl]benzoate
CID 125457040
4-(3-ethylphenyl)piperidine-2,6-dione
CID 170001328
4-(3-chloro-4-methylphenyl)-2-methylpyrrolidine
CID 106818817
N-methoxy-N-methyl-3-[(3R,5S)-5-methylpyrrolidin-3-yl]benzamide
CID 125458149
(2R,4S)-4-(4-bromophenyl)-2-methylpyrrolidine
CID 95365874
1-[(1R)-2,2-dimethylcyclopropyl]-3-ethylbenzene
CID 142058084
6-(3-ethylphenyl)-2-azaspiro[3.4]octane
CID 163218670
N-[(3-cyclopropylphenyl)methyl]-1-(4-ethylphenyl)methanamine
CID 106899392
(2R,4R)-4-(4-methoxyphenyl)-2-methylpyrrolidine
CID 95240960

Frequently Asked Questions

What is the IUPAC name of 4-(3-ethylphenyl)-2-methylpyrrolidine?
The IUPAC name of 4-(3-ethylphenyl)-2-methylpyrrolidine (CID 126676814) is 4-(3-ethylphenyl)-2-methylpyrrolidine.
What is the SMILES notation for 4-(3-ethylphenyl)-2-methylpyrrolidine?
The canonical SMILES for 4-(3-ethylphenyl)-2-methylpyrrolidine is CCc1cccc(C2CNC(C)C2)c1.
What is the InChIKey of 4-(3-ethylphenyl)-2-methylpyrrolidine?
The InChIKey is AAPTUMJQCZXWCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N/c1-3-11-5-4-6-12(8-11)13-7-10(2)14-9-13/h4-6,8,10,13-14H,3,7,9H2,1-2H3.
What are the key properties of 4-(3-ethylphenyl)-2-methylpyrrolidine?
4-(3-ethylphenyl)-2-methylpyrrolidine has a molecular weight of 189.30 g/mol, XLogP of 2.71, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-ethylphenyl)-2-methylpyrrolidine is sourced from PubChem (CID 126676814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).