2-ethyl-5-methyl-4-(pyrrolidin-2-ylmethyl)phenol

C14H21NO — CID 117313107

IUPAC2-ethyl-5-methyl-4-(pyrrolidin-2-ylmethyl)phenol
SMILESCCc1cc(CC2CCCN2)c(C)cc1O
InChIInChI=1S/C14H21NO/c1-3-11-8-12(10(2)7-14(11)16)9-13-5-4-6-15-13/h7-8,13,15-16H,3-6,9H2,1-2H3
InChIKeyBXEKHKHBIIZBOX-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.56
Rot. Bonds3

About 2-ethyl-5-methyl-4-(pyrrolidin-2-ylmethyl)phenol

2-ethyl-5-methyl-4-(pyrrolidin-2-ylmethyl)phenol (PubChem CID 117313107) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is 2-ethyl-5-methyl-4-(pyrrolidin-2-ylmethyl)phenol.

Molecular Properties

Compound Name2-ethyl-5-methyl-4-(pyrrolidin-2-ylmethyl)phenol
PubChem CID117313107
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name2-ethyl-5-methyl-4-(pyrrolidin-2-ylmethyl)phenol
SMILESCCc1cc(CC2CCCN2)c(C)cc1O
InChIInChI=1S/C14H21NO/c1-3-11-8-12(10(2)7-14(11)16)9-13-5-4-6-15-13/h7-8,13,15-16H,3-6,9H2,1-2H3
InChIKeyBXEKHKHBIIZBOX-UHFFFAOYSA-N
XLogP2.56
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-ethyl-5-methyl-4-(pyrrolidin-2-ylmethyl)phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-bromo-5-methyl-4-(pyrrolidin-2-ylmethyl)phenol
CID 117428488
4-fluoro-5-methyl-2-(pyrrolidin-2-ylmethyl)phenol
CID 117298865
4-fluoro-5-methyl-2-(piperidin-2-ylmethyl)phenol
CID 117320372
3-fluoro-6-methyl-4-(pyrrolidin-2-ylmethyl)benzene-1,2-diol
CID 117323559
2,3,5-trimethyl-4-(pyrrolidin-2-ylmethyl)phenol
CID 117118250
4-bromo-3,5-dimethyl-2-(pyrrolidin-2-ylmethyl)phenol
CID 84812962
(2R)-2-[(2-methylphenyl)methyl]pyrrolidine
CID 7047857
3-methyl-6-(pyrrolidin-2-ylmethyl)benzene-1,2-diol
CID 117296067
4-bromo-2-ethyl-6-(piperidin-2-ylmethyl)phenol
CID 117480393
2-chloro-6-fluoro-3-methyl-5-(pyrrolidin-2-ylmethyl)phenol
CID 117361291
3,4-dimethyl-5-(piperidin-2-ylmethyl)benzene-1,2-diol
CID 117342837
2-[(4,5-dimethyl-2-methylsulfanylphenyl)methyl]pyrrolidine
CID 117343802

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5-methyl-4-(pyrrolidin-2-ylmethyl)phenol?
The IUPAC name of 2-ethyl-5-methyl-4-(pyrrolidin-2-ylmethyl)phenol (CID 117313107) is 2-ethyl-5-methyl-4-(pyrrolidin-2-ylmethyl)phenol.
What is the SMILES notation for 2-ethyl-5-methyl-4-(pyrrolidin-2-ylmethyl)phenol?
The canonical SMILES for 2-ethyl-5-methyl-4-(pyrrolidin-2-ylmethyl)phenol is CCc1cc(CC2CCCN2)c(C)cc1O.
What is the InChIKey of 2-ethyl-5-methyl-4-(pyrrolidin-2-ylmethyl)phenol?
The InChIKey is BXEKHKHBIIZBOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-3-11-8-12(10(2)7-14(11)16)9-13-5-4-6-15-13/h7-8,13,15-16H,3-6,9H2,1-2H3.
What are the key properties of 2-ethyl-5-methyl-4-(pyrrolidin-2-ylmethyl)phenol?
2-ethyl-5-methyl-4-(pyrrolidin-2-ylmethyl)phenol has a molecular weight of 219.33 g/mol, XLogP of 2.56, 3 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-(pyrrolidin-2-ylmethyl)phenol is sourced from PubChem (CID 117313107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).