3-(3-cyclopropylphenyl)-2,2-dimethylpyrrolidine

C15H21N — CID 79979954

IUPAC3-(3-cyclopropylphenyl)-2,2-dimethylpyrrolidine
SMILESCC1(C)NCCC1c1cccc(C2CC2)c1
InChIInChI=1S/C15H21N/c1-15(2)14(8-9-16-15)13-5-3-4-12(10-13)11-6-7-11/h3-5,10-11,14,16H,6-9H2,1-2H3
InChIKeyAEOIDBCXJSSOPS-UHFFFAOYSA-N
MW215.34 g/mol
LogP3.42
Rot. Bonds2

About 3-(3-cyclopropylphenyl)-2,2-dimethylpyrrolidine

3-(3-cyclopropylphenyl)-2,2-dimethylpyrrolidine (PubChem CID 79979954) has the molecular formula C15H21N and a molecular weight of 215.34 g/mol. Its IUPAC name is 3-(3-cyclopropylphenyl)-2,2-dimethylpyrrolidine.

Molecular Properties

Compound Name3-(3-cyclopropylphenyl)-2,2-dimethylpyrrolidine
PubChem CID79979954
Molecular FormulaC15H21N
Molecular Weight215.34 g/mol
Exact Mass215.17
IUPAC Name3-(3-cyclopropylphenyl)-2,2-dimethylpyrrolidine
SMILESCC1(C)NCCC1c1cccc(C2CC2)c1
InChIInChI=1S/C15H21N/c1-15(2)14(8-9-16-15)13-5-3-4-12(10-13)11-6-7-11/h3-5,10-11,14,16H,6-9H2,1-2H3
InChIKeyAEOIDBCXJSSOPS-UHFFFAOYSA-N
XLogP3.42
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(3R)-2,2-dimethyl-3-phenylpyrrolidine
CID 94411574
3-(3-methoxyphenyl)-2,2-dimethylpyrrolidine;hydrochloride
CID 170914264
3-(3-ethoxyphenyl)-2,2-dimethylpyrrolidine
CID 62354565
4-[3-(4,4-dimethylcyclohexyl)phenyl]piperidine
CID 117431735
4-(3-piperidin-4-ylphenyl)piperidine
CID 91123464
3-(3,5-dimethylphenyl)-2,2-dimethylpyrrolidine
CID 62354775
3-(3-chloro-4-fluorophenyl)-2,2-dimethylpyrrolidine
CID 81165667
4-(3-cyclopropylphenyl)-3-methylpyrrolidin-3-amine
CID 165468446
3-(3-chloro-2-methylphenyl)-2,2-dimethylpyrrolidine
CID 83823137
4-(3-bromophenyl)-2,2-dimethylpiperidine
CID 117258218
N-[(3-cyclopropylphenyl)methyl]-2,2,3,3-tetramethylcyclopropan-1-amine
CID 79983868
N-methyl-N-methylsulfanyl-3-piperidin-4-ylaniline
CID 155107747

Frequently Asked Questions

What is the IUPAC name of 3-(3-cyclopropylphenyl)-2,2-dimethylpyrrolidine?
The IUPAC name of 3-(3-cyclopropylphenyl)-2,2-dimethylpyrrolidine (CID 79979954) is 3-(3-cyclopropylphenyl)-2,2-dimethylpyrrolidine.
What is the SMILES notation for 3-(3-cyclopropylphenyl)-2,2-dimethylpyrrolidine?
The canonical SMILES for 3-(3-cyclopropylphenyl)-2,2-dimethylpyrrolidine is CC1(C)NCCC1c1cccc(C2CC2)c1.
What is the InChIKey of 3-(3-cyclopropylphenyl)-2,2-dimethylpyrrolidine?
The InChIKey is AEOIDBCXJSSOPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N/c1-15(2)14(8-9-16-15)13-5-3-4-12(10-13)11-6-7-11/h3-5,10-11,14,16H,6-9H2,1-2H3.
What are the key properties of 3-(3-cyclopropylphenyl)-2,2-dimethylpyrrolidine?
3-(3-cyclopropylphenyl)-2,2-dimethylpyrrolidine has a molecular weight of 215.34 g/mol, XLogP of 3.42, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-cyclopropylphenyl)-2,2-dimethylpyrrolidine is sourced from PubChem (CID 79979954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).