[2-(2-ethyl-5-methylpyrrolidin-1-yl)-5-methylphenyl]methanol

C15H23NO — CID 114054503

IUPAC[2-(2-ethyl-5-methylpyrrolidin-1-yl)-5-methylphenyl]methanol
SMILESCCC1CCC(C)N1c1ccc(C)cc1CO
InChIInChI=1S/C15H23NO/c1-4-14-7-6-12(3)16(14)15-8-5-11(2)9-13(15)10-17/h5,8-9,12,14,17H,4,6-7,10H2,1-3H3
InChIKeyXNTGSSHBHJAFNC-UHFFFAOYSA-N
MW233.36 g/mol
LogP3.25
Rot. Bonds3

About [2-(2-ethyl-5-methylpyrrolidin-1-yl)-5-methylphenyl]methanol

[2-(2-ethyl-5-methylpyrrolidin-1-yl)-5-methylphenyl]methanol (PubChem CID 114054503) has the molecular formula C15H23NO and a molecular weight of 233.36 g/mol. Its IUPAC name is [2-(2-ethyl-5-methylpyrrolidin-1-yl)-5-methylphenyl]methanol.

Molecular Properties

Compound Name[2-(2-ethyl-5-methylpyrrolidin-1-yl)-5-methylphenyl]methanol
PubChem CID114054503
Molecular FormulaC15H23NO
Molecular Weight233.36 g/mol
Exact Mass233.18
IUPAC Name[2-(2-ethyl-5-methylpyrrolidin-1-yl)-5-methylphenyl]methanol
SMILESCCC1CCC(C)N1c1ccc(C)cc1CO
InChIInChI=1S/C15H23NO/c1-4-14-7-6-12(3)16(14)15-8-5-11(2)9-13(15)10-17/h5,8-9,12,14,17H,4,6-7,10H2,1-3H3
InChIKeyXNTGSSHBHJAFNC-UHFFFAOYSA-N
XLogP3.25
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[2-(2-ethyl-5-methylpyrrolidin-1-yl)-5-methylphenyl]methanamine
CID 107926317
[5-chloro-2-(2-ethyl-5-methylpyrrolidin-1-yl)phenyl]methanol
CID 114845830
[4-(2-ethyl-5-methylpyrrolidin-1-yl)-2-methylphenyl]methanol
CID 83219086
1-[4-(chloromethyl)-2-methylphenyl]-2-ethyl-5-methylpyrrolidine
CID 83220397
1-[4-(bromomethyl)-2-methylphenyl]-2-ethyl-5-methylpyrrolidine
CID 107084955
[1-[2-(hydroxymethyl)-4-methylphenyl]-3-methylpyrrolidin-2-yl]methanol
CID 114054518
5-chloro-2-(2-ethyl-5-methylpyrrolidin-1-yl)benzaldehyde
CID 114844521
1-[5-bromo-2-(bromomethyl)phenyl]-2-ethyl-5-methylpyrrolidine
CID 107084963
2-(2-ethyl-5-methylpyrrolidin-1-yl)aniline
CID 83218413
[4-chloro-2-(2-ethyl-5-methylpyrrolidin-1-yl)phenyl]methanamine
CID 83227050
[3-bromo-4-(2-ethyl-5-methylpyrrolidin-1-yl)phenyl]methanamine
CID 83227316
1-[4-(bromomethyl)-2-chlorophenyl]-2-ethyl-5-methylpyrrolidine
CID 107084954

Frequently Asked Questions

What is the IUPAC name of [2-(2-ethyl-5-methylpyrrolidin-1-yl)-5-methylphenyl]methanol?
The IUPAC name of [2-(2-ethyl-5-methylpyrrolidin-1-yl)-5-methylphenyl]methanol (CID 114054503) is [2-(2-ethyl-5-methylpyrrolidin-1-yl)-5-methylphenyl]methanol.
What is the SMILES notation for [2-(2-ethyl-5-methylpyrrolidin-1-yl)-5-methylphenyl]methanol?
The canonical SMILES for [2-(2-ethyl-5-methylpyrrolidin-1-yl)-5-methylphenyl]methanol is CCC1CCC(C)N1c1ccc(C)cc1CO.
What is the InChIKey of [2-(2-ethyl-5-methylpyrrolidin-1-yl)-5-methylphenyl]methanol?
The InChIKey is XNTGSSHBHJAFNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-4-14-7-6-12(3)16(14)15-8-5-11(2)9-13(15)10-17/h5,8-9,12,14,17H,4,6-7,10H2,1-3H3.
What are the key properties of [2-(2-ethyl-5-methylpyrrolidin-1-yl)-5-methylphenyl]methanol?
[2-(2-ethyl-5-methylpyrrolidin-1-yl)-5-methylphenyl]methanol has a molecular weight of 233.36 g/mol, XLogP of 3.25, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-ethyl-5-methylpyrrolidin-1-yl)-5-methylphenyl]methanol is sourced from PubChem (CID 114054503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).