ethane;4-methyl-2-phenylpyrrolidine

C13H21N — CID 142973679

IUPACethane;4-methyl-2-phenylpyrrolidine
SMILESCC.CC1CNC(c2ccccc2)C1
InChIInChI=1S/C11H15N.C2H6/c1-9-7-11(12-8-9)10-5-3-2-4-6-10;1-2/h2-6,9,11-12H,7-8H2,1H3;1-2H3
InChIKeyWZWSXSJVPSIOKR-UHFFFAOYSA-N
MW191.32 g/mol
LogP3.38
Rot. Bonds1

About ethane;4-methyl-2-phenylpyrrolidine

ethane;4-methyl-2-phenylpyrrolidine (PubChem CID 142973679) has the molecular formula C13H21N and a molecular weight of 191.32 g/mol. Its IUPAC name is ethane;4-methyl-2-phenylpyrrolidine.

Molecular Properties

Compound Nameethane;4-methyl-2-phenylpyrrolidine
PubChem CID142973679
Molecular FormulaC13H21N
Molecular Weight191.32 g/mol
Exact Mass191.17
IUPAC Nameethane;4-methyl-2-phenylpyrrolidine
SMILESCC.CC1CNC(c2ccccc2)C1
InChIInChI=1S/C11H15N.C2H6/c1-9-7-11(12-8-9)10-5-3-2-4-6-10;1-2/h2-6,9,11-12H,7-8H2,1H3;1-2H3
InChIKeyWZWSXSJVPSIOKR-UHFFFAOYSA-N
XLogP3.38
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.32
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2R,4R)-4-methyl-2-phenylpyrrolidine
CID 101063094
ethane;(2S)-2-phenylaziridine
CID 145185749
(2S,4S)-2-(3-methoxyphenyl)-4-methylpyrrolidine
CID 82403223
5-phenylpyrrolidin-3-amine
CID 83854505
4-(4-methylpyrrolidin-2-yl)-1-phenylpyrazole
CID 64687894
(2S,4S)-2-(3,4-dimethylphenyl)-4-methylpyrrolidine
CID 96625235
(3R,4R,6R)-4,6-diphenylpiperidine-3-carboxylic acid
CID 11868274
acetic acid;2,5-diphenylpiperazine
CID 157254746
(3R,5S)-5-phenylpyrrolidine-3-carbonitrile
CID 169170901
(2R,4R)-2-phenyl-4-(trifluoromethyl)pyrrolidine;hydrobromide
CID 170718511
(2S,5S)-1,2-dimethyl-5-phenylpiperazine
CID 96624962
ethane;2-methyl-4-phenylpyrrolidine
CID 176952755

Frequently Asked Questions

What is the IUPAC name of ethane;4-methyl-2-phenylpyrrolidine?
The IUPAC name of ethane;4-methyl-2-phenylpyrrolidine (CID 142973679) is ethane;4-methyl-2-phenylpyrrolidine.
What is the SMILES notation for ethane;4-methyl-2-phenylpyrrolidine?
The canonical SMILES for ethane;4-methyl-2-phenylpyrrolidine is CC.CC1CNC(c2ccccc2)C1.
What is the InChIKey of ethane;4-methyl-2-phenylpyrrolidine?
The InChIKey is WZWSXSJVPSIOKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N.C2H6/c1-9-7-11(12-8-9)10-5-3-2-4-6-10;1-2/h2-6,9,11-12H,7-8H2,1H3;1-2H3.
What are the key properties of ethane;4-methyl-2-phenylpyrrolidine?
ethane;4-methyl-2-phenylpyrrolidine has a molecular weight of 191.32 g/mol, XLogP of 3.38, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-methyl-2-phenylpyrrolidine is sourced from PubChem (CID 142973679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).