2,5-dimethyl-1-[(4-propan-2-ylphenyl)methyl]pyrrolidine

C16H25N — CID 58659507

IUPAC2,5-dimethyl-1-[(4-propan-2-ylphenyl)methyl]pyrrolidine
SMILESCC(C)c1ccc(CN2C(C)CCC2C)cc1
InChIInChI=1S/C16H25N/c1-12(2)16-9-7-15(8-10-16)11-17-13(3)5-6-14(17)4/h7-10,12-14H,5-6,11H2,1-4H3
InChIKeyBRIBSANTCHAZRN-UHFFFAOYSA-N
MW231.38 g/mol
LogP4.18
Rot. Bonds3

About 2,5-dimethyl-1-[(4-propan-2-ylphenyl)methyl]pyrrolidine

2,5-dimethyl-1-[(4-propan-2-ylphenyl)methyl]pyrrolidine (PubChem CID 58659507) has the molecular formula C16H25N and a molecular weight of 231.38 g/mol. Its IUPAC name is 2,5-dimethyl-1-[(4-propan-2-ylphenyl)methyl]pyrrolidine.

Molecular Properties

Compound Name2,5-dimethyl-1-[(4-propan-2-ylphenyl)methyl]pyrrolidine
PubChem CID58659507
Molecular FormulaC16H25N
Molecular Weight231.38 g/mol
Exact Mass231.20
IUPAC Name2,5-dimethyl-1-[(4-propan-2-ylphenyl)methyl]pyrrolidine
SMILESCC(C)c1ccc(CN2C(C)CCC2C)cc1
InChIInChI=1S/C16H25N/c1-12(2)16-9-7-15(8-10-16)11-17-13(3)5-6-14(17)4/h7-10,12-14H,5-6,11H2,1-4H3
InChIKeyBRIBSANTCHAZRN-UHFFFAOYSA-N
XLogP4.18
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.38
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-1-[(4-propan-2-ylphenyl)methyl]pyrrolidine?
The IUPAC name of 2,5-dimethyl-1-[(4-propan-2-ylphenyl)methyl]pyrrolidine (CID 58659507) is 2,5-dimethyl-1-[(4-propan-2-ylphenyl)methyl]pyrrolidine.
What is the SMILES notation for 2,5-dimethyl-1-[(4-propan-2-ylphenyl)methyl]pyrrolidine?
The canonical SMILES for 2,5-dimethyl-1-[(4-propan-2-ylphenyl)methyl]pyrrolidine is CC(C)c1ccc(CN2C(C)CCC2C)cc1.
What is the InChIKey of 2,5-dimethyl-1-[(4-propan-2-ylphenyl)methyl]pyrrolidine?
The InChIKey is BRIBSANTCHAZRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N/c1-12(2)16-9-7-15(8-10-16)11-17-13(3)5-6-14(17)4/h7-10,12-14H,5-6,11H2,1-4H3.
What are the key properties of 2,5-dimethyl-1-[(4-propan-2-ylphenyl)methyl]pyrrolidine?
2,5-dimethyl-1-[(4-propan-2-ylphenyl)methyl]pyrrolidine has a molecular weight of 231.38 g/mol, XLogP of 4.18, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-1-[(4-propan-2-ylphenyl)methyl]pyrrolidine is sourced from PubChem (CID 58659507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).