1-[4-fluoro-2-[(2-methoxyethylamino)methyl]phenyl]-3-methylpyrrolidin-3-ol

C15H23FN2O2 — CID 103356944

IUPAC1-[4-fluoro-2-[(2-methoxyethylamino)methyl]phenyl]-3-methylpyrrolidin-3-ol
SMILESCOCCNCc1cc(F)ccc1N1CCC(C)(O)C1
InChIInChI=1S/C15H23FN2O2/c1-15(19)5-7-18(11-15)14-4-3-13(16)9-12(14)10-17-6-8-20-2/h3-4,9,17,19H,5-8,10-11H2,1-2H3
InChIKeyOUWNIRLULJNZHE-UHFFFAOYSA-N
MW282.36 g/mol
LogP1.52
Rot. Bonds6

About 1-[4-fluoro-2-[(2-methoxyethylamino)methyl]phenyl]-3-methylpyrrolidin-3-ol

1-[4-fluoro-2-[(2-methoxyethylamino)methyl]phenyl]-3-methylpyrrolidin-3-ol (PubChem CID 103356944) has the molecular formula C15H23FN2O2 and a molecular weight of 282.36 g/mol. Its IUPAC name is 1-[4-fluoro-2-[(2-methoxyethylamino)methyl]phenyl]-3-methylpyrrolidin-3-ol.

Molecular Properties

Compound Name1-[4-fluoro-2-[(2-methoxyethylamino)methyl]phenyl]-3-methylpyrrolidin-3-ol
PubChem CID103356944
Molecular FormulaC15H23FN2O2
Molecular Weight282.36 g/mol
Exact Mass282.17
IUPAC Name1-[4-fluoro-2-[(2-methoxyethylamino)methyl]phenyl]-3-methylpyrrolidin-3-ol
SMILESCOCCNCc1cc(F)ccc1N1CCC(C)(O)C1
InChIInChI=1S/C15H23FN2O2/c1-15(19)5-7-18(11-15)14-4-3-13(16)9-12(14)10-17-6-8-20-2/h3-4,9,17,19H,5-8,10-11H2,1-2H3
InChIKeyOUWNIRLULJNZHE-UHFFFAOYSA-N
XLogP1.52
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.36
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[4-fluoro-2-[(2-methoxyethylamino)methyl]phenyl]-3-methylpyrrolidin-3-ol?
The IUPAC name of 1-[4-fluoro-2-[(2-methoxyethylamino)methyl]phenyl]-3-methylpyrrolidin-3-ol (CID 103356944) is 1-[4-fluoro-2-[(2-methoxyethylamino)methyl]phenyl]-3-methylpyrrolidin-3-ol.
What is the SMILES notation for 1-[4-fluoro-2-[(2-methoxyethylamino)methyl]phenyl]-3-methylpyrrolidin-3-ol?
The canonical SMILES for 1-[4-fluoro-2-[(2-methoxyethylamino)methyl]phenyl]-3-methylpyrrolidin-3-ol is COCCNCc1cc(F)ccc1N1CCC(C)(O)C1.
What is the InChIKey of 1-[4-fluoro-2-[(2-methoxyethylamino)methyl]phenyl]-3-methylpyrrolidin-3-ol?
The InChIKey is OUWNIRLULJNZHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2O2/c1-15(19)5-7-18(11-15)14-4-3-13(16)9-12(14)10-17-6-8-20-2/h3-4,9,17,19H,5-8,10-11H2,1-2H3.
What are the key properties of 1-[4-fluoro-2-[(2-methoxyethylamino)methyl]phenyl]-3-methylpyrrolidin-3-ol?
1-[4-fluoro-2-[(2-methoxyethylamino)methyl]phenyl]-3-methylpyrrolidin-3-ol has a molecular weight of 282.36 g/mol, XLogP of 1.52, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-fluoro-2-[(2-methoxyethylamino)methyl]phenyl]-3-methylpyrrolidin-3-ol is sourced from PubChem (CID 103356944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).