2-methyl-2-[4-(2-methylbutan-2-yl)phenyl]pyrrolidine

C16H25N — CID 117335142

IUPAC2-methyl-2-[4-(2-methylbutan-2-yl)phenyl]pyrrolidine
SMILESCCC(C)(C)c1ccc(C2(C)CCCN2)cc1
InChIInChI=1S/C16H25N/c1-5-15(2,3)13-7-9-14(10-8-13)16(4)11-6-12-17-16/h7-10,17H,5-6,11-12H2,1-4H3
InChIKeyGQBHTUBLXBAKOD-UHFFFAOYSA-N
MW231.38 g/mol
LogP3.97
Rot. Bonds3

About 2-methyl-2-[4-(2-methylbutan-2-yl)phenyl]pyrrolidine

2-methyl-2-[4-(2-methylbutan-2-yl)phenyl]pyrrolidine (PubChem CID 117335142) has the molecular formula C16H25N and a molecular weight of 231.38 g/mol. Its IUPAC name is 2-methyl-2-[4-(2-methylbutan-2-yl)phenyl]pyrrolidine.

Molecular Properties

Compound Name2-methyl-2-[4-(2-methylbutan-2-yl)phenyl]pyrrolidine
PubChem CID117335142
Molecular FormulaC16H25N
Molecular Weight231.38 g/mol
Exact Mass231.20
IUPAC Name2-methyl-2-[4-(2-methylbutan-2-yl)phenyl]pyrrolidine
SMILESCCC(C)(C)c1ccc(C2(C)CCCN2)cc1
InChIInChI=1S/C16H25N/c1-5-15(2,3)13-7-9-14(10-8-13)16(4)11-6-12-17-16/h7-10,17H,5-6,11-12H2,1-4H3
InChIKeyGQBHTUBLXBAKOD-UHFFFAOYSA-N
XLogP3.97
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.38
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[4-(2,2-difluoropropyl)phenyl]-2-methylpyrrolidine
CID 117351181
2-(4-ethoxyphenyl)-2-methylpyrrolidine
CID 66467822
4-(2-methylpyrrolidin-2-yl)phenol
CID 82599572
2-methyl-2-phenylpiperidine;hydrochloride
CID 115027708
2-[4-(2,2-difluoroethyl)phenyl]-2-methylpyrrolidine
CID 117323688
2-[3-(1-methoxy-2-methylpropan-2-yl)phenyl]-2-methylpyrrolidine
CID 117116875
2-[3-(2,2-difluoropropyl)phenyl]-2-methylpyrrolidine
CID 117351180
2-(furan-3-yl)-2-methylpyrrolidine
CID 66465313
2-methyl-2-[4-(2-methylprop-2-enoxy)phenyl]pyrrolidine
CID 117335007
2-[4-(difluoromethylsulfanyl)phenyl]-2-methylpyrrolidine
CID 117360520
2-methyl-2-[4-[(3-methyloxetan-3-yl)methoxy]phenyl]pyrrolidine
CID 117408371
2-(4-cyclopentyloxyphenyl)-2-methylpyrrolidine
CID 117366157

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[4-(2-methylbutan-2-yl)phenyl]pyrrolidine?
The IUPAC name of 2-methyl-2-[4-(2-methylbutan-2-yl)phenyl]pyrrolidine (CID 117335142) is 2-methyl-2-[4-(2-methylbutan-2-yl)phenyl]pyrrolidine.
What is the SMILES notation for 2-methyl-2-[4-(2-methylbutan-2-yl)phenyl]pyrrolidine?
The canonical SMILES for 2-methyl-2-[4-(2-methylbutan-2-yl)phenyl]pyrrolidine is CCC(C)(C)c1ccc(C2(C)CCCN2)cc1.
What is the InChIKey of 2-methyl-2-[4-(2-methylbutan-2-yl)phenyl]pyrrolidine?
The InChIKey is GQBHTUBLXBAKOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N/c1-5-15(2,3)13-7-9-14(10-8-13)16(4)11-6-12-17-16/h7-10,17H,5-6,11-12H2,1-4H3.
What are the key properties of 2-methyl-2-[4-(2-methylbutan-2-yl)phenyl]pyrrolidine?
2-methyl-2-[4-(2-methylbutan-2-yl)phenyl]pyrrolidine has a molecular weight of 231.38 g/mol, XLogP of 3.97, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[4-(2-methylbutan-2-yl)phenyl]pyrrolidine is sourced from PubChem (CID 117335142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).