2-[3-(methoxymethyl)pyrrolidin-1-yl]-1-(2,4,6-trimethylphenyl)ethanamine

C17H28N2O — CID 64569538

IUPAC2-[3-(methoxymethyl)pyrrolidin-1-yl]-1-(2,4,6-trimethylphenyl)ethanamine
SMILESCOCC1CCN(CC(N)c2c(C)cc(C)cc2C)C1
InChIInChI=1S/C17H28N2O/c1-12-7-13(2)17(14(3)8-12)16(18)10-19-6-5-15(9-19)11-20-4/h7-8,15-16H,5-6,9-11,18H2,1-4H3
InChIKeyRFHZCJDUFXPZKY-UHFFFAOYSA-N
MW276.42 g/mol
LogP2.58
Rot. Bonds5

About 2-[3-(methoxymethyl)pyrrolidin-1-yl]-1-(2,4,6-trimethylphenyl)ethanamine

2-[3-(methoxymethyl)pyrrolidin-1-yl]-1-(2,4,6-trimethylphenyl)ethanamine (PubChem CID 64569538) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is 2-[3-(methoxymethyl)pyrrolidin-1-yl]-1-(2,4,6-trimethylphenyl)ethanamine.

Molecular Properties

Compound Name2-[3-(methoxymethyl)pyrrolidin-1-yl]-1-(2,4,6-trimethylphenyl)ethanamine
PubChem CID64569538
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC Name2-[3-(methoxymethyl)pyrrolidin-1-yl]-1-(2,4,6-trimethylphenyl)ethanamine
SMILESCOCC1CCN(CC(N)c2c(C)cc(C)cc2C)C1
InChIInChI=1S/C17H28N2O/c1-12-7-13(2)17(14(3)8-12)16(18)10-19-6-5-15(9-19)11-20-4/h7-8,15-16H,5-6,9-11,18H2,1-4H3
InChIKeyRFHZCJDUFXPZKY-UHFFFAOYSA-N
XLogP2.58
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-(methoxymethyl)pyrrolidin-1-yl]-1-(2,4,6-trimethylphenyl)ethanol
CID 64597263
1-(2,5-dimethylphenyl)-2-[3-(methoxymethyl)pyrrolidin-1-yl]ethanamine
CID 64569121
2-(3,4-dimethoxypyrrolidin-1-yl)-1-(2,4,6-trimethylphenyl)ethanamine
CID 103532480
2-(3-methylpiperidin-1-yl)-1-(2,4,6-trimethylphenyl)ethanamine
CID 43107360
1-(3,4-dimethylphenyl)-2-[4-(methoxymethyl)piperidin-1-yl]ethanamine
CID 63973652
2-[3-(methoxymethyl)piperidin-1-yl]-1-(4-methylphenyl)ethanamine
CID 106586509
2-[3-(methoxymethyl)pyrrolidin-1-yl]-1-(2,4,6-trimethylphenyl)ethanone
CID 64597172
2-(2-ethylmorpholin-4-yl)-1-(2,4,6-trimethylphenyl)ethanamine
CID 43562607
1-(2,4-dimethylphenyl)-2-[4-(methoxymethyl)piperidin-1-yl]-N-methylethanamine
CID 63972298
1-(3,5-dimethylphenyl)-2-[4-(methoxymethyl)piperidin-1-yl]ethanol
CID 79037989
(3S)-3-(methoxymethyl)-1-(2-methylpropyl)pyrrolidine
CID 89358409
2-[4-(methoxymethyl)piperidin-1-yl]-1-phenylethanamine
CID 63973658

Frequently Asked Questions

What is the IUPAC name of 2-[3-(methoxymethyl)pyrrolidin-1-yl]-1-(2,4,6-trimethylphenyl)ethanamine?
The IUPAC name of 2-[3-(methoxymethyl)pyrrolidin-1-yl]-1-(2,4,6-trimethylphenyl)ethanamine (CID 64569538) is 2-[3-(methoxymethyl)pyrrolidin-1-yl]-1-(2,4,6-trimethylphenyl)ethanamine.
What is the SMILES notation for 2-[3-(methoxymethyl)pyrrolidin-1-yl]-1-(2,4,6-trimethylphenyl)ethanamine?
The canonical SMILES for 2-[3-(methoxymethyl)pyrrolidin-1-yl]-1-(2,4,6-trimethylphenyl)ethanamine is COCC1CCN(CC(N)c2c(C)cc(C)cc2C)C1.
What is the InChIKey of 2-[3-(methoxymethyl)pyrrolidin-1-yl]-1-(2,4,6-trimethylphenyl)ethanamine?
The InChIKey is RFHZCJDUFXPZKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-12-7-13(2)17(14(3)8-12)16(18)10-19-6-5-15(9-19)11-20-4/h7-8,15-16H,5-6,9-11,18H2,1-4H3.
What are the key properties of 2-[3-(methoxymethyl)pyrrolidin-1-yl]-1-(2,4,6-trimethylphenyl)ethanamine?
2-[3-(methoxymethyl)pyrrolidin-1-yl]-1-(2,4,6-trimethylphenyl)ethanamine has a molecular weight of 276.42 g/mol, XLogP of 2.58, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(methoxymethyl)pyrrolidin-1-yl]-1-(2,4,6-trimethylphenyl)ethanamine is sourced from PubChem (CID 64569538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).