5-[4-(aminomethyl)-1-methylpyrrolidin-2-yl]-2-methylphenol

C13H20N2O — CID 117314847

IUPAC5-[4-(aminomethyl)-1-methylpyrrolidin-2-yl]-2-methylphenol
SMILESCc1ccc(C2CC(CN)CN2C)cc1O
InChIInChI=1S/C13H20N2O/c1-9-3-4-11(6-13(9)16)12-5-10(7-14)8-15(12)2/h3-4,6,10,12,16H,5,7-8,14H2,1-2H3
InChIKeyVZKHBMUOBZZQTQ-UHFFFAOYSA-N
MW220.32 g/mol
LogP1.65
Rot. Bonds2

About 5-[4-(aminomethyl)-1-methylpyrrolidin-2-yl]-2-methylphenol

5-[4-(aminomethyl)-1-methylpyrrolidin-2-yl]-2-methylphenol (PubChem CID 117314847) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is 5-[4-(aminomethyl)-1-methylpyrrolidin-2-yl]-2-methylphenol.

Molecular Properties

Compound Name5-[4-(aminomethyl)-1-methylpyrrolidin-2-yl]-2-methylphenol
PubChem CID117314847
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name5-[4-(aminomethyl)-1-methylpyrrolidin-2-yl]-2-methylphenol
SMILESCc1ccc(C2CC(CN)CN2C)cc1O
InChIInChI=1S/C13H20N2O/c1-9-3-4-11(6-13(9)16)12-5-10(7-14)8-15(12)2/h3-4,6,10,12,16H,5,7-8,14H2,1-2H3
InChIKeyVZKHBMUOBZZQTQ-UHFFFAOYSA-N
XLogP1.65
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[4-(aminomethyl)-1-methylpyrrolidin-2-yl]-2-methylphenol?
The IUPAC name of 5-[4-(aminomethyl)-1-methylpyrrolidin-2-yl]-2-methylphenol (CID 117314847) is 5-[4-(aminomethyl)-1-methylpyrrolidin-2-yl]-2-methylphenol.
What is the SMILES notation for 5-[4-(aminomethyl)-1-methylpyrrolidin-2-yl]-2-methylphenol?
The canonical SMILES for 5-[4-(aminomethyl)-1-methylpyrrolidin-2-yl]-2-methylphenol is Cc1ccc(C2CC(CN)CN2C)cc1O.
What is the InChIKey of 5-[4-(aminomethyl)-1-methylpyrrolidin-2-yl]-2-methylphenol?
The InChIKey is VZKHBMUOBZZQTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-9-3-4-11(6-13(9)16)12-5-10(7-14)8-15(12)2/h3-4,6,10,12,16H,5,7-8,14H2,1-2H3.
What are the key properties of 5-[4-(aminomethyl)-1-methylpyrrolidin-2-yl]-2-methylphenol?
5-[4-(aminomethyl)-1-methylpyrrolidin-2-yl]-2-methylphenol has a molecular weight of 220.32 g/mol, XLogP of 1.65, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(aminomethyl)-1-methylpyrrolidin-2-yl]-2-methylphenol is sourced from PubChem (CID 117314847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).