2-ethyl-5-methyl-4-(2-methylpyrrolidin-2-yl)phenol

C14H21NO — CID 117313036

IUPAC2-ethyl-5-methyl-4-(2-methylpyrrolidin-2-yl)phenol
SMILESCCc1cc(C2(C)CCCN2)c(C)cc1O
InChIInChI=1S/C14H21NO/c1-4-11-9-12(10(2)8-13(11)16)14(3)6-5-7-15-14/h8-9,15-16H,4-7H2,1-3H3
InChIKeyMNSXOFLRZYLCTJ-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.86
Rot. Bonds2

About 2-ethyl-5-methyl-4-(2-methylpyrrolidin-2-yl)phenol

2-ethyl-5-methyl-4-(2-methylpyrrolidin-2-yl)phenol (PubChem CID 117313036) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is 2-ethyl-5-methyl-4-(2-methylpyrrolidin-2-yl)phenol.

Molecular Properties

Compound Name2-ethyl-5-methyl-4-(2-methylpyrrolidin-2-yl)phenol
PubChem CID117313036
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name2-ethyl-5-methyl-4-(2-methylpyrrolidin-2-yl)phenol
SMILESCCc1cc(C2(C)CCCN2)c(C)cc1O
InChIInChI=1S/C14H21NO/c1-4-11-9-12(10(2)8-13(11)16)14(3)6-5-7-15-14/h8-9,15-16H,4-7H2,1-3H3
InChIKeyMNSXOFLRZYLCTJ-UHFFFAOYSA-N
XLogP2.86
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5-methyl-4-(2-methylpyrrolidin-2-yl)phenol?
The IUPAC name of 2-ethyl-5-methyl-4-(2-methylpyrrolidin-2-yl)phenol (CID 117313036) is 2-ethyl-5-methyl-4-(2-methylpyrrolidin-2-yl)phenol.
What is the SMILES notation for 2-ethyl-5-methyl-4-(2-methylpyrrolidin-2-yl)phenol?
The canonical SMILES for 2-ethyl-5-methyl-4-(2-methylpyrrolidin-2-yl)phenol is CCc1cc(C2(C)CCCN2)c(C)cc1O.
What is the InChIKey of 2-ethyl-5-methyl-4-(2-methylpyrrolidin-2-yl)phenol?
The InChIKey is MNSXOFLRZYLCTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-4-11-9-12(10(2)8-13(11)16)14(3)6-5-7-15-14/h8-9,15-16H,4-7H2,1-3H3.
What are the key properties of 2-ethyl-5-methyl-4-(2-methylpyrrolidin-2-yl)phenol?
2-ethyl-5-methyl-4-(2-methylpyrrolidin-2-yl)phenol has a molecular weight of 219.33 g/mol, XLogP of 2.86, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5-methyl-4-(2-methylpyrrolidin-2-yl)phenol is sourced from PubChem (CID 117313036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).