2-[1-(4-methoxyphenyl)-5,5-dimethylpyrrolidin-3-yl]ethanamine

C15H24N2O — CID 117018709

IUPAC2-[1-(4-methoxyphenyl)-5,5-dimethylpyrrolidin-3-yl]ethanamine
SMILESCOc1ccc(N2CC(CCN)CC2(C)C)cc1
InChIInChI=1S/C15H24N2O/c1-15(2)10-12(8-9-16)11-17(15)13-4-6-14(18-3)7-5-13/h4-7,12H,8-11,16H2,1-3H3
InChIKeyISTUVUYHJAUHRG-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.65
Rot. Bonds4

About 2-[1-(4-methoxyphenyl)-5,5-dimethylpyrrolidin-3-yl]ethanamine

2-[1-(4-methoxyphenyl)-5,5-dimethylpyrrolidin-3-yl]ethanamine (PubChem CID 117018709) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 2-[1-(4-methoxyphenyl)-5,5-dimethylpyrrolidin-3-yl]ethanamine.

Molecular Properties

Compound Name2-[1-(4-methoxyphenyl)-5,5-dimethylpyrrolidin-3-yl]ethanamine
PubChem CID117018709
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name2-[1-(4-methoxyphenyl)-5,5-dimethylpyrrolidin-3-yl]ethanamine
SMILESCOc1ccc(N2CC(CCN)CC2(C)C)cc1
InChIInChI=1S/C15H24N2O/c1-15(2)10-12(8-9-16)11-17(15)13-4-6-14(18-3)7-5-13/h4-7,12H,8-11,16H2,1-3H3
InChIKeyISTUVUYHJAUHRG-UHFFFAOYSA-N
XLogP2.65
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-methoxyphenyl)-5,5-dimethylpyrrolidin-3-yl]ethanamine?
The IUPAC name of 2-[1-(4-methoxyphenyl)-5,5-dimethylpyrrolidin-3-yl]ethanamine (CID 117018709) is 2-[1-(4-methoxyphenyl)-5,5-dimethylpyrrolidin-3-yl]ethanamine.
What is the SMILES notation for 2-[1-(4-methoxyphenyl)-5,5-dimethylpyrrolidin-3-yl]ethanamine?
The canonical SMILES for 2-[1-(4-methoxyphenyl)-5,5-dimethylpyrrolidin-3-yl]ethanamine is COc1ccc(N2CC(CCN)CC2(C)C)cc1.
What is the InChIKey of 2-[1-(4-methoxyphenyl)-5,5-dimethylpyrrolidin-3-yl]ethanamine?
The InChIKey is ISTUVUYHJAUHRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-15(2)10-12(8-9-16)11-17(15)13-4-6-14(18-3)7-5-13/h4-7,12H,8-11,16H2,1-3H3.
What are the key properties of 2-[1-(4-methoxyphenyl)-5,5-dimethylpyrrolidin-3-yl]ethanamine?
2-[1-(4-methoxyphenyl)-5,5-dimethylpyrrolidin-3-yl]ethanamine has a molecular weight of 248.37 g/mol, XLogP of 2.65, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-methoxyphenyl)-5,5-dimethylpyrrolidin-3-yl]ethanamine is sourced from PubChem (CID 117018709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).