ethane;2-methyl-4-phenylpyrrolidine

C13H21N — CID 176952755

IUPACethane;2-methyl-4-phenylpyrrolidine
SMILESCC.CC1CC(c2ccccc2)CN1
InChIInChI=1S/C11H15N.C2H6/c1-9-7-11(8-12-9)10-5-3-2-4-6-10;1-2/h2-6,9,11-12H,7-8H2,1H3;1-2H3
InChIKeyWWJFPUFNRODOBZ-UHFFFAOYSA-N
MW191.32 g/mol
LogP3.18
Rot. Bonds1

About ethane;2-methyl-4-phenylpyrrolidine

ethane;2-methyl-4-phenylpyrrolidine (PubChem CID 176952755) has the molecular formula C13H21N and a molecular weight of 191.32 g/mol. Its IUPAC name is ethane;2-methyl-4-phenylpyrrolidine.

Molecular Properties

Compound Nameethane;2-methyl-4-phenylpyrrolidine
PubChem CID176952755
Molecular FormulaC13H21N
Molecular Weight191.32 g/mol
Exact Mass191.17
IUPAC Nameethane;2-methyl-4-phenylpyrrolidine
SMILESCC.CC1CC(c2ccccc2)CN1
InChIInChI=1S/C11H15N.C2H6/c1-9-7-11(8-12-9)10-5-3-2-4-6-10;1-2/h2-6,9,11-12H,7-8H2,1H3;1-2H3
InChIKeyWWJFPUFNRODOBZ-UHFFFAOYSA-N
XLogP3.18
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 ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2R,5S)-2-methyl-5-phenylpiperidine
CID 95374662
(2R,4S)-4-(4-bromophenyl)-2-methylpyrrolidine
CID 95365874
(2R,4R)-4-(4-methoxyphenyl)-2-methylpyrrolidine
CID 95240960
3-(5-methylpyrrolidin-3-yl)phenol;hydrochloride
CID 161066750
4-(3-ethylphenyl)-2-methylpyrrolidine
CID 126676814
[(2S,4R)-4-phenylpyrrolidin-2-yl]methanamine
CID 57365027
(2R,4S)-4-phenylpyrrolidine-2-carboxylic acid
CID 56845333
ethane;(2S)-2-phenylaziridine
CID 145185749
4-(3-chloro-4-methylphenyl)-2-methylpyrrolidine
CID 106818817
(6-methyl-4-phenylpiperidin-3-yl)methanamine
CID 82609453
ethane;4-methyl-2-phenylpyrrolidine
CID 142973679
methyl (2S,4S)-4-phenylpyrrolidine-2-carboxylate
CID 92978343

Frequently Asked Questions

What is the IUPAC name of ethane;2-methyl-4-phenylpyrrolidine?
The IUPAC name of ethane;2-methyl-4-phenylpyrrolidine (CID 176952755) is ethane;2-methyl-4-phenylpyrrolidine.
What is the SMILES notation for ethane;2-methyl-4-phenylpyrrolidine?
The canonical SMILES for ethane;2-methyl-4-phenylpyrrolidine is CC.CC1CC(c2ccccc2)CN1.
What is the InChIKey of ethane;2-methyl-4-phenylpyrrolidine?
The InChIKey is WWJFPUFNRODOBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N.C2H6/c1-9-7-11(8-12-9)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;2-methyl-4-phenylpyrrolidine?
ethane;2-methyl-4-phenylpyrrolidine has a molecular weight of 191.32 g/mol, XLogP of 3.18, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-methyl-4-phenylpyrrolidine is sourced from PubChem (CID 176952755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).