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

C16H26N2O — CID 64569121

IUPAC1-(2,5-dimethylphenyl)-2-[3-(methoxymethyl)pyrrolidin-1-yl]ethanamine
SMILESCOCC1CCN(CC(N)c2cc(C)ccc2C)C1
InChIInChI=1S/C16H26N2O/c1-12-4-5-13(2)15(8-12)16(17)10-18-7-6-14(9-18)11-19-3/h4-5,8,14,16H,6-7,9-11,17H2,1-3H3
InChIKeyYJOXBWGUPZFSBX-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.27
Rot. Bonds5

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

1-(2,5-dimethylphenyl)-2-[3-(methoxymethyl)pyrrolidin-1-yl]ethanamine (PubChem CID 64569121) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 1-(2,5-dimethylphenyl)-2-[3-(methoxymethyl)pyrrolidin-1-yl]ethanamine.

Molecular Properties

Compound Name1-(2,5-dimethylphenyl)-2-[3-(methoxymethyl)pyrrolidin-1-yl]ethanamine
PubChem CID64569121
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name1-(2,5-dimethylphenyl)-2-[3-(methoxymethyl)pyrrolidin-1-yl]ethanamine
SMILESCOCC1CCN(CC(N)c2cc(C)ccc2C)C1
InChIInChI=1S/C16H26N2O/c1-12-4-5-13(2)15(8-12)16(17)10-18-7-6-14(9-18)11-19-3/h4-5,8,14,16H,6-7,9-11,17H2,1-3H3
InChIKeyYJOXBWGUPZFSBX-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-[3-(methoxymethyl)pyrrolidin-1-yl]-1-(2,4,6-trimethylphenyl)ethanamine
CID 64569538
2-(3,4-dimethoxypyrrolidin-1-yl)-1-(2,5-dimethylphenyl)ethanamine
CID 103532436
1-(3,4-dimethylphenyl)-2-[4-(methoxymethyl)piperidin-1-yl]ethanamine
CID 63973652
2-(2,5-dimethylphenyl)-2-[3-(methoxymethyl)pyrrolidin-1-yl]ethanamine
CID 64568698
2-[3-(methoxymethyl)piperidin-1-yl]-1-(4-methylphenyl)ethanamine
CID 106586509
1-(2,4-dimethylphenyl)-2-[4-(methoxymethyl)piperidin-1-yl]-N-methylethanamine
CID 63972298
1-(2,4-dimethylphenyl)-2-(4-propylpiperidin-1-yl)ethanamine
CID 62200913
2-[3-(methoxymethyl)pyrrolidin-1-yl]-1-(2,4,6-trimethylphenyl)ethanol
CID 64597263
1-(2,5-dimethylphenyl)-3-(4-methylpiperidin-1-yl)propan-1-amine
CID 82021677
N-ethyl-2-[3-(methoxymethyl)pyrrolidin-1-yl]-1-(2-methylphenyl)ethanamine
CID 64569899
2-[4-(methoxymethyl)piperidin-1-yl]-1-phenylethanamine
CID 63973658
1-(2,5-dimethylphenyl)-2-[4-(methoxymethyl)piperidin-1-yl]ethanone
CID 63972910

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylphenyl)-2-[3-(methoxymethyl)pyrrolidin-1-yl]ethanamine?
The IUPAC name of 1-(2,5-dimethylphenyl)-2-[3-(methoxymethyl)pyrrolidin-1-yl]ethanamine (CID 64569121) is 1-(2,5-dimethylphenyl)-2-[3-(methoxymethyl)pyrrolidin-1-yl]ethanamine.
What is the SMILES notation for 1-(2,5-dimethylphenyl)-2-[3-(methoxymethyl)pyrrolidin-1-yl]ethanamine?
The canonical SMILES for 1-(2,5-dimethylphenyl)-2-[3-(methoxymethyl)pyrrolidin-1-yl]ethanamine is COCC1CCN(CC(N)c2cc(C)ccc2C)C1.
What is the InChIKey of 1-(2,5-dimethylphenyl)-2-[3-(methoxymethyl)pyrrolidin-1-yl]ethanamine?
The InChIKey is YJOXBWGUPZFSBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-12-4-5-13(2)15(8-12)16(17)10-18-7-6-14(9-18)11-19-3/h4-5,8,14,16H,6-7,9-11,17H2,1-3H3.
What are the key properties of 1-(2,5-dimethylphenyl)-2-[3-(methoxymethyl)pyrrolidin-1-yl]ethanamine?
1-(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 1-(2,5-dimethylphenyl)-2-[3-(methoxymethyl)pyrrolidin-1-yl]ethanamine is sourced from PubChem (CID 64569121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).