4-[[2-(2,2-dimethylpropyl)pyrrolidin-2-yl]methyl]phenol

C16H25NO — CID 115058876

IUPAC4-[[2-(2,2-dimethylpropyl)pyrrolidin-2-yl]methyl]phenol
SMILESCC(C)(C)CC1(Cc2ccc(O)cc2)CCCN1
InChIInChI=1S/C16H25NO/c1-15(2,3)12-16(9-4-10-17-16)11-13-5-7-14(18)8-6-13/h5-8,17-18H,4,9-12H2,1-3H3
InChIKeyBFPCJQHFNWDTSC-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.49
Rot. Bonds3

About 4-[[2-(2,2-dimethylpropyl)pyrrolidin-2-yl]methyl]phenol

4-[[2-(2,2-dimethylpropyl)pyrrolidin-2-yl]methyl]phenol (PubChem CID 115058876) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is 4-[[2-(2,2-dimethylpropyl)pyrrolidin-2-yl]methyl]phenol.

Molecular Properties

Compound Name4-[[2-(2,2-dimethylpropyl)pyrrolidin-2-yl]methyl]phenol
PubChem CID115058876
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name4-[[2-(2,2-dimethylpropyl)pyrrolidin-2-yl]methyl]phenol
SMILESCC(C)(C)CC1(Cc2ccc(O)cc2)CCCN1
InChIInChI=1S/C16H25NO/c1-15(2,3)12-16(9-4-10-17-16)11-13-5-7-14(18)8-6-13/h5-8,17-18H,4,9-12H2,1-3H3
InChIKeyBFPCJQHFNWDTSC-UHFFFAOYSA-N
XLogP3.49
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[[2-(2,2-dimethylpropyl)pyrrolidin-2-yl]methyl]phenol?
The IUPAC name of 4-[[2-(2,2-dimethylpropyl)pyrrolidin-2-yl]methyl]phenol (CID 115058876) is 4-[[2-(2,2-dimethylpropyl)pyrrolidin-2-yl]methyl]phenol.
What is the SMILES notation for 4-[[2-(2,2-dimethylpropyl)pyrrolidin-2-yl]methyl]phenol?
The canonical SMILES for 4-[[2-(2,2-dimethylpropyl)pyrrolidin-2-yl]methyl]phenol is CC(C)(C)CC1(Cc2ccc(O)cc2)CCCN1.
What is the InChIKey of 4-[[2-(2,2-dimethylpropyl)pyrrolidin-2-yl]methyl]phenol?
The InChIKey is BFPCJQHFNWDTSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-15(2,3)12-16(9-4-10-17-16)11-13-5-7-14(18)8-6-13/h5-8,17-18H,4,9-12H2,1-3H3.
What are the key properties of 4-[[2-(2,2-dimethylpropyl)pyrrolidin-2-yl]methyl]phenol?
4-[[2-(2,2-dimethylpropyl)pyrrolidin-2-yl]methyl]phenol has a molecular weight of 247.38 g/mol, XLogP of 3.49, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(2,2-dimethylpropyl)pyrrolidin-2-yl]methyl]phenol is sourced from PubChem (CID 115058876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).