2-[2,2-dimethyl-1-(2,4,6-trimethylphenyl)pyrrolidin-3-yl]ethanol

C17H27NO — CID 117017428

IUPAC2-[2,2-dimethyl-1-(2,4,6-trimethylphenyl)pyrrolidin-3-yl]ethanol
SMILESCc1cc(C)c(N2CCC(CCO)C2(C)C)c(C)c1
InChIInChI=1S/C17H27NO/c1-12-10-13(2)16(14(3)11-12)18-8-6-15(7-9-19)17(18,4)5/h10-11,15,19H,6-9H2,1-5H3
InChIKeyHQVSNUXYISBANX-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.60
Rot. Bonds3

About 2-[2,2-dimethyl-1-(2,4,6-trimethylphenyl)pyrrolidin-3-yl]ethanol

2-[2,2-dimethyl-1-(2,4,6-trimethylphenyl)pyrrolidin-3-yl]ethanol (PubChem CID 117017428) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is 2-[2,2-dimethyl-1-(2,4,6-trimethylphenyl)pyrrolidin-3-yl]ethanol.

Molecular Properties

Compound Name2-[2,2-dimethyl-1-(2,4,6-trimethylphenyl)pyrrolidin-3-yl]ethanol
PubChem CID117017428
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC Name2-[2,2-dimethyl-1-(2,4,6-trimethylphenyl)pyrrolidin-3-yl]ethanol
SMILESCc1cc(C)c(N2CCC(CCO)C2(C)C)c(C)c1
InChIInChI=1S/C17H27NO/c1-12-10-13(2)16(14(3)11-12)18-8-6-15(7-9-19)17(18,4)5/h10-11,15,19H,6-9H2,1-5H3
InChIKeyHQVSNUXYISBANX-UHFFFAOYSA-N
XLogP3.60
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[2,2-dimethyl-1-(2,4,6-trimethylphenyl)pyrrolidin-3-yl]ethanol?
The IUPAC name of 2-[2,2-dimethyl-1-(2,4,6-trimethylphenyl)pyrrolidin-3-yl]ethanol (CID 117017428) is 2-[2,2-dimethyl-1-(2,4,6-trimethylphenyl)pyrrolidin-3-yl]ethanol.
What is the SMILES notation for 2-[2,2-dimethyl-1-(2,4,6-trimethylphenyl)pyrrolidin-3-yl]ethanol?
The canonical SMILES for 2-[2,2-dimethyl-1-(2,4,6-trimethylphenyl)pyrrolidin-3-yl]ethanol is Cc1cc(C)c(N2CCC(CCO)C2(C)C)c(C)c1.
What is the InChIKey of 2-[2,2-dimethyl-1-(2,4,6-trimethylphenyl)pyrrolidin-3-yl]ethanol?
The InChIKey is HQVSNUXYISBANX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-12-10-13(2)16(14(3)11-12)18-8-6-15(7-9-19)17(18,4)5/h10-11,15,19H,6-9H2,1-5H3.
What are the key properties of 2-[2,2-dimethyl-1-(2,4,6-trimethylphenyl)pyrrolidin-3-yl]ethanol?
2-[2,2-dimethyl-1-(2,4,6-trimethylphenyl)pyrrolidin-3-yl]ethanol has a molecular weight of 261.41 g/mol, XLogP of 3.60, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,2-dimethyl-1-(2,4,6-trimethylphenyl)pyrrolidin-3-yl]ethanol is sourced from PubChem (CID 117017428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).