1-methyl-2-phenyl-2-propylpyrrolidine

C14H21N — CID 70881193

IUPAC1-methyl-2-phenyl-2-propylpyrrolidine
SMILESCCCC1(c2ccccc2)CCCN1C
InChIInChI=1S/C14H21N/c1-3-10-14(11-7-12-15(14)2)13-8-5-4-6-9-13/h4-6,8-9H,3,7,10-12H2,1-2H3
InChIKeySMAUTQQXWVNBDO-UHFFFAOYSA-N
MW203.33 g/mol
LogP3.41
Rot. Bonds3

About 1-methyl-2-phenyl-2-propylpyrrolidine

1-methyl-2-phenyl-2-propylpyrrolidine (PubChem CID 70881193) has the molecular formula C14H21N and a molecular weight of 203.33 g/mol. Its IUPAC name is 1-methyl-2-phenyl-2-propylpyrrolidine.

Molecular Properties

Compound Name1-methyl-2-phenyl-2-propylpyrrolidine
PubChem CID70881193
Molecular FormulaC14H21N
Molecular Weight203.33 g/mol
Exact Mass203.17
IUPAC Name1-methyl-2-phenyl-2-propylpyrrolidine
SMILESCCCC1(c2ccccc2)CCCN1C
InChIInChI=1S/C14H21N/c1-3-10-14(11-7-12-15(14)2)13-8-5-4-6-9-13/h4-6,8-9H,3,7,10-12H2,1-2H3
InChIKeySMAUTQQXWVNBDO-UHFFFAOYSA-N
XLogP3.41
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.33
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-phenyl-2-propylpyrrolidine?
The IUPAC name of 1-methyl-2-phenyl-2-propylpyrrolidine (CID 70881193) is 1-methyl-2-phenyl-2-propylpyrrolidine.
What is the SMILES notation for 1-methyl-2-phenyl-2-propylpyrrolidine?
The canonical SMILES for 1-methyl-2-phenyl-2-propylpyrrolidine is CCCC1(c2ccccc2)CCCN1C.
What is the InChIKey of 1-methyl-2-phenyl-2-propylpyrrolidine?
The InChIKey is SMAUTQQXWVNBDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N/c1-3-10-14(11-7-12-15(14)2)13-8-5-4-6-9-13/h4-6,8-9H,3,7,10-12H2,1-2H3.
What are the key properties of 1-methyl-2-phenyl-2-propylpyrrolidine?
1-methyl-2-phenyl-2-propylpyrrolidine has a molecular weight of 203.33 g/mol, XLogP of 3.41, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-phenyl-2-propylpyrrolidine is sourced from PubChem (CID 70881193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).