[5-(5-ethyl-4-fluoro-2-methoxyphenyl)-1-methylpyrrolidin-3-yl]methanamine

C15H23FN2O — CID 117420275

IUPAC[5-(5-ethyl-4-fluoro-2-methoxyphenyl)-1-methylpyrrolidin-3-yl]methanamine
SMILESCCc1cc(C2CC(CN)CN2C)c(OC)cc1F
InChIInChI=1S/C15H23FN2O/c1-4-11-6-12(15(19-3)7-13(11)16)14-5-10(8-17)9-18(14)2/h6-7,10,14H,4-5,8-9,17H2,1-3H3
InChIKeyNYDBFDBHSPCQIG-UHFFFAOYSA-N
MW266.36 g/mol
LogP2.35
Rot. Bonds4

About [5-(5-ethyl-4-fluoro-2-methoxyphenyl)-1-methylpyrrolidin-3-yl]methanamine

[5-(5-ethyl-4-fluoro-2-methoxyphenyl)-1-methylpyrrolidin-3-yl]methanamine (PubChem CID 117420275) has the molecular formula C15H23FN2O and a molecular weight of 266.36 g/mol. Its IUPAC name is [5-(5-ethyl-4-fluoro-2-methoxyphenyl)-1-methylpyrrolidin-3-yl]methanamine.

Molecular Properties

Compound Name[5-(5-ethyl-4-fluoro-2-methoxyphenyl)-1-methylpyrrolidin-3-yl]methanamine
PubChem CID117420275
Molecular FormulaC15H23FN2O
Molecular Weight266.36 g/mol
Exact Mass266.18
IUPAC Name[5-(5-ethyl-4-fluoro-2-methoxyphenyl)-1-methylpyrrolidin-3-yl]methanamine
SMILESCCc1cc(C2CC(CN)CN2C)c(OC)cc1F
InChIInChI=1S/C15H23FN2O/c1-4-11-6-12(15(19-3)7-13(11)16)14-5-10(8-17)9-18(14)2/h6-7,10,14H,4-5,8-9,17H2,1-3H3
InChIKeyNYDBFDBHSPCQIG-UHFFFAOYSA-N
XLogP2.35
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.36
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [5-(5-ethyl-4-fluoro-2-methoxyphenyl)-1-methylpyrrolidin-3-yl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [5-(5-ethyl-4-fluoro-2-methoxyphenyl)-1-methylpyrrolidin-3-yl]methanamine?
The IUPAC name of [5-(5-ethyl-4-fluoro-2-methoxyphenyl)-1-methylpyrrolidin-3-yl]methanamine (CID 117420275) is [5-(5-ethyl-4-fluoro-2-methoxyphenyl)-1-methylpyrrolidin-3-yl]methanamine.
What is the SMILES notation for [5-(5-ethyl-4-fluoro-2-methoxyphenyl)-1-methylpyrrolidin-3-yl]methanamine?
The canonical SMILES for [5-(5-ethyl-4-fluoro-2-methoxyphenyl)-1-methylpyrrolidin-3-yl]methanamine is CCc1cc(C2CC(CN)CN2C)c(OC)cc1F.
What is the InChIKey of [5-(5-ethyl-4-fluoro-2-methoxyphenyl)-1-methylpyrrolidin-3-yl]methanamine?
The InChIKey is NYDBFDBHSPCQIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2O/c1-4-11-6-12(15(19-3)7-13(11)16)14-5-10(8-17)9-18(14)2/h6-7,10,14H,4-5,8-9,17H2,1-3H3.
What are the key properties of [5-(5-ethyl-4-fluoro-2-methoxyphenyl)-1-methylpyrrolidin-3-yl]methanamine?
[5-(5-ethyl-4-fluoro-2-methoxyphenyl)-1-methylpyrrolidin-3-yl]methanamine has a molecular weight of 266.36 g/mol, XLogP of 2.35, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(5-ethyl-4-fluoro-2-methoxyphenyl)-1-methylpyrrolidin-3-yl]methanamine is sourced from PubChem (CID 117420275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).