4-[4-(aminomethyl)-1-methylpyrrolidin-2-yl]-2,3,6-trimethylphenol

C15H24N2O — CID 117117153

IUPAC4-[4-(aminomethyl)-1-methylpyrrolidin-2-yl]-2,3,6-trimethylphenol
SMILESCc1cc(C2CC(CN)CN2C)c(C)c(C)c1O
InChIInChI=1S/C15H24N2O/c1-9-5-13(10(2)11(3)15(9)18)14-6-12(7-16)8-17(14)4/h5,12,14,18H,6-8,16H2,1-4H3
InChIKeyGTTCZXAHRAYMFT-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.27
Rot. Bonds2

About 4-[4-(aminomethyl)-1-methylpyrrolidin-2-yl]-2,3,6-trimethylphenol

4-[4-(aminomethyl)-1-methylpyrrolidin-2-yl]-2,3,6-trimethylphenol (PubChem CID 117117153) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 4-[4-(aminomethyl)-1-methylpyrrolidin-2-yl]-2,3,6-trimethylphenol.

Molecular Properties

Compound Name4-[4-(aminomethyl)-1-methylpyrrolidin-2-yl]-2,3,6-trimethylphenol
PubChem CID117117153
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name4-[4-(aminomethyl)-1-methylpyrrolidin-2-yl]-2,3,6-trimethylphenol
SMILESCc1cc(C2CC(CN)CN2C)c(C)c(C)c1O
InChIInChI=1S/C15H24N2O/c1-9-5-13(10(2)11(3)15(9)18)14-6-12(7-16)8-17(14)4/h5,12,14,18H,6-8,16H2,1-4H3
InChIKeyGTTCZXAHRAYMFT-UHFFFAOYSA-N
XLogP2.27
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(aminomethyl)-1-methylpyrrolidin-2-yl]-2,3,6-trimethylphenol?
The IUPAC name of 4-[4-(aminomethyl)-1-methylpyrrolidin-2-yl]-2,3,6-trimethylphenol (CID 117117153) is 4-[4-(aminomethyl)-1-methylpyrrolidin-2-yl]-2,3,6-trimethylphenol.
What is the SMILES notation for 4-[4-(aminomethyl)-1-methylpyrrolidin-2-yl]-2,3,6-trimethylphenol?
The canonical SMILES for 4-[4-(aminomethyl)-1-methylpyrrolidin-2-yl]-2,3,6-trimethylphenol is Cc1cc(C2CC(CN)CN2C)c(C)c(C)c1O.
What is the InChIKey of 4-[4-(aminomethyl)-1-methylpyrrolidin-2-yl]-2,3,6-trimethylphenol?
The InChIKey is GTTCZXAHRAYMFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-9-5-13(10(2)11(3)15(9)18)14-6-12(7-16)8-17(14)4/h5,12,14,18H,6-8,16H2,1-4H3.
What are the key properties of 4-[4-(aminomethyl)-1-methylpyrrolidin-2-yl]-2,3,6-trimethylphenol?
4-[4-(aminomethyl)-1-methylpyrrolidin-2-yl]-2,3,6-trimethylphenol has a molecular weight of 248.37 g/mol, XLogP of 2.27, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(aminomethyl)-1-methylpyrrolidin-2-yl]-2,3,6-trimethylphenol is sourced from PubChem (CID 117117153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).