2-(2,5-dimethylphenyl)-2-[3-(methoxymethyl)pyrrolidin-1-yl]ethanamine

C16H26N2O — CID 64568698

IUPAC2-(2,5-dimethylphenyl)-2-[3-(methoxymethyl)pyrrolidin-1-yl]ethanamine
SMILESCOCC1CCN(C(CN)c2cc(C)ccc2C)C1
InChIInChI=1S/C16H26N2O/c1-12-4-5-13(2)15(8-12)16(9-17)18-7-6-14(10-18)11-19-3/h4-5,8,14,16H,6-7,9-11,17H2,1-3H3
InChIKeyIAUAVMZOESFJCI-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.27
Rot. Bonds5

About 2-(2,5-dimethylphenyl)-2-[3-(methoxymethyl)pyrrolidin-1-yl]ethanamine

2-(2,5-dimethylphenyl)-2-[3-(methoxymethyl)pyrrolidin-1-yl]ethanamine (PubChem CID 64568698) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 2-(2,5-dimethylphenyl)-2-[3-(methoxymethyl)pyrrolidin-1-yl]ethanamine.

Molecular Properties

Compound Name2-(2,5-dimethylphenyl)-2-[3-(methoxymethyl)pyrrolidin-1-yl]ethanamine
PubChem CID64568698
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name2-(2,5-dimethylphenyl)-2-[3-(methoxymethyl)pyrrolidin-1-yl]ethanamine
SMILESCOCC1CCN(C(CN)c2cc(C)ccc2C)C1
InChIInChI=1S/C16H26N2O/c1-12-4-5-13(2)15(8-12)16(9-17)18-7-6-14(10-18)11-19-3/h4-5,8,14,16H,6-7,9-11,17H2,1-3H3
InChIKeyIAUAVMZOESFJCI-UHFFFAOYSA-N
XLogP2.27
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,5-dimethylphenyl)-2-(4-propylpiperidin-1-yl)ethanamine
CID 62199615
2-(3-bromo-4-methylphenyl)-2-[3-(methoxymethyl)pyrrolidin-1-yl]ethanamine
CID 105405028
1-(2,5-dimethylphenyl)-2-[3-(methoxymethyl)pyrrolidin-1-yl]ethanamine
CID 64569121
2-(4-bromo-3-methylphenyl)-2-[3-(methoxymethyl)pyrrolidin-1-yl]ethanamine
CID 66479758
2-(2,5-dimethylphenyl)-2-thiomorpholin-4-ylethanamine
CID 54977844
2-(3-bromo-4-methylphenyl)-2-[3-(methoxymethyl)piperidin-1-yl]ethanamine
CID 106586275
2-[4-(methoxymethyl)piperidin-1-yl]-2-(3-methylthiophen-2-yl)ethanamine
CID 63972078
2-(3-ethyl-1-methylpyrazol-4-yl)-2-[3-(methoxymethyl)pyrrolidin-1-yl]ethanamine
CID 112669485
2-[3-(methoxymethyl)pyrrolidin-1-yl]-2-quinolin-8-ylethanamine
CID 64568893
2-[3-(methoxymethyl)pyrrolidin-1-yl]-2-(4-propan-2-yloxyphenyl)ethanamine
CID 64570685
2-(4-chloro-2-fluorophenyl)-2-[4-(methoxymethyl)piperidin-1-yl]ethanamine
CID 114843208
2-(4-methoxy-3-methylphenyl)-2-[4-(methoxymethyl)piperidin-1-yl]ethanamine
CID 63973443

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylphenyl)-2-[3-(methoxymethyl)pyrrolidin-1-yl]ethanamine?
The IUPAC name of 2-(2,5-dimethylphenyl)-2-[3-(methoxymethyl)pyrrolidin-1-yl]ethanamine (CID 64568698) is 2-(2,5-dimethylphenyl)-2-[3-(methoxymethyl)pyrrolidin-1-yl]ethanamine.
What is the SMILES notation for 2-(2,5-dimethylphenyl)-2-[3-(methoxymethyl)pyrrolidin-1-yl]ethanamine?
The canonical SMILES for 2-(2,5-dimethylphenyl)-2-[3-(methoxymethyl)pyrrolidin-1-yl]ethanamine is COCC1CCN(C(CN)c2cc(C)ccc2C)C1.
What is the InChIKey of 2-(2,5-dimethylphenyl)-2-[3-(methoxymethyl)pyrrolidin-1-yl]ethanamine?
The InChIKey is IAUAVMZOESFJCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-12-4-5-13(2)15(8-12)16(9-17)18-7-6-14(10-18)11-19-3/h4-5,8,14,16H,6-7,9-11,17H2,1-3H3.
What are the key properties of 2-(2,5-dimethylphenyl)-2-[3-(methoxymethyl)pyrrolidin-1-yl]ethanamine?
2-(2,5-dimethylphenyl)-2-[3-(methoxymethyl)pyrrolidin-1-yl]ethanamine has a molecular weight of 262.40 g/mol, XLogP of 2.27, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethylphenyl)-2-[3-(methoxymethyl)pyrrolidin-1-yl]ethanamine is sourced from PubChem (CID 64568698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).