2-[3-(methoxymethyl)pyrrolidin-1-yl]-N-methyl-2-phenylethanamine

C15H24N2O — CID 64583795

IUPAC2-[3-(methoxymethyl)pyrrolidin-1-yl]-N-methyl-2-phenylethanamine
SMILESCNCC(c1ccccc1)N1CCC(COC)C1
InChIInChI=1S/C15H24N2O/c1-16-10-15(14-6-4-3-5-7-14)17-9-8-13(11-17)12-18-2/h3-7,13,15-16H,8-12H2,1-2H3
InChIKeyUSACDXBQEPYJGO-UHFFFAOYSA-N
MW248.37 g/mol
LogP1.92
Rot. Bonds6

About 2-[3-(methoxymethyl)pyrrolidin-1-yl]-N-methyl-2-phenylethanamine

2-[3-(methoxymethyl)pyrrolidin-1-yl]-N-methyl-2-phenylethanamine (PubChem CID 64583795) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 2-[3-(methoxymethyl)pyrrolidin-1-yl]-N-methyl-2-phenylethanamine.

Molecular Properties

Compound Name2-[3-(methoxymethyl)pyrrolidin-1-yl]-N-methyl-2-phenylethanamine
PubChem CID64583795
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name2-[3-(methoxymethyl)pyrrolidin-1-yl]-N-methyl-2-phenylethanamine
SMILESCNCC(c1ccccc1)N1CCC(COC)C1
InChIInChI=1S/C15H24N2O/c1-16-10-15(14-6-4-3-5-7-14)17-9-8-13(11-17)12-18-2/h3-7,13,15-16H,8-12H2,1-2H3
InChIKeyUSACDXBQEPYJGO-UHFFFAOYSA-N
XLogP1.92
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-ethylpyrrolidin-1-yl)-N-methyl-2-phenylethanamine
CID 113419035
3-[3-(methoxymethyl)pyrrolidin-1-yl]-3-phenylpropanenitrile
CID 64597905
2-[3-(methoxymethyl)pyrrolidin-1-yl]-1-phenylpropan-1-ol
CID 64599486
2-[3-(methoxymethyl)pyrrolidin-1-yl]-1-phenylpropan-1-amine
CID 64569900
2-[3-(methoxymethyl)pyrrolidin-1-yl]-1-phenyl-N-propylpropan-1-amine
CID 64569116
N-methyl-1-[1-(1-phenylbutyl)piperidin-3-yl]methanamine
CID 61206343
1-(1-benzhydrylpyrrolidin-3-yl)-N-methylmethanamine;ethane
CID 91616896
2-(2-ethylmorpholin-4-yl)-N-methyl-2-phenylethanamine
CID 62433539
N-methyl-2-(2-methyl-1,4-oxazepan-4-yl)-2-phenylethanamine
CID 62974266
N-[[1-(2-methoxy-1-phenylethyl)piperidin-4-yl]methyl]ethanamine
CID 103465126
2-[4-(methoxymethyl)piperidin-1-yl]-3-phenylbutan-1-amine
CID 63973836
2-[3-(methoxymethyl)pyrrolidin-1-yl]-2-(4-propan-2-yloxyphenyl)ethanamine
CID 64570685

Frequently Asked Questions

What is the IUPAC name of 2-[3-(methoxymethyl)pyrrolidin-1-yl]-N-methyl-2-phenylethanamine?
The IUPAC name of 2-[3-(methoxymethyl)pyrrolidin-1-yl]-N-methyl-2-phenylethanamine (CID 64583795) is 2-[3-(methoxymethyl)pyrrolidin-1-yl]-N-methyl-2-phenylethanamine.
What is the SMILES notation for 2-[3-(methoxymethyl)pyrrolidin-1-yl]-N-methyl-2-phenylethanamine?
The canonical SMILES for 2-[3-(methoxymethyl)pyrrolidin-1-yl]-N-methyl-2-phenylethanamine is CNCC(c1ccccc1)N1CCC(COC)C1.
What is the InChIKey of 2-[3-(methoxymethyl)pyrrolidin-1-yl]-N-methyl-2-phenylethanamine?
The InChIKey is USACDXBQEPYJGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-16-10-15(14-6-4-3-5-7-14)17-9-8-13(11-17)12-18-2/h3-7,13,15-16H,8-12H2,1-2H3.
What are the key properties of 2-[3-(methoxymethyl)pyrrolidin-1-yl]-N-methyl-2-phenylethanamine?
2-[3-(methoxymethyl)pyrrolidin-1-yl]-N-methyl-2-phenylethanamine has a molecular weight of 248.37 g/mol, XLogP of 1.92, 6 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]-N-methyl-2-phenylethanamine is sourced from PubChem (CID 64583795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).