N-ethyl-1-(4-fluoro-2-methoxyphenyl)pyrrolidin-3-amine

C13H19FN2O — CID 54967543

IUPACN-ethyl-1-(4-fluoro-2-methoxyphenyl)pyrrolidin-3-amine
SMILESCCNC1CCN(c2ccc(F)cc2OC)C1
InChIInChI=1S/C13H19FN2O/c1-3-15-11-6-7-16(9-11)12-5-4-10(14)8-13(12)17-2/h4-5,8,11,15H,3,6-7,9H2,1-2H3
InChIKeyMXSFZWLWPJFIGT-UHFFFAOYSA-N
MW238.31 g/mol
LogP2.02
Rot. Bonds4

About N-ethyl-1-(4-fluoro-2-methoxyphenyl)pyrrolidin-3-amine

N-ethyl-1-(4-fluoro-2-methoxyphenyl)pyrrolidin-3-amine (PubChem CID 54967543) has the molecular formula C13H19FN2O and a molecular weight of 238.31 g/mol. Its IUPAC name is N-ethyl-1-(4-fluoro-2-methoxyphenyl)pyrrolidin-3-amine.

Molecular Properties

Compound NameN-ethyl-1-(4-fluoro-2-methoxyphenyl)pyrrolidin-3-amine
PubChem CID54967543
Molecular FormulaC13H19FN2O
Molecular Weight238.31 g/mol
Exact Mass238.15
IUPAC NameN-ethyl-1-(4-fluoro-2-methoxyphenyl)pyrrolidin-3-amine
SMILESCCNC1CCN(c2ccc(F)cc2OC)C1
InChIInChI=1S/C13H19FN2O/c1-3-15-11-6-7-16(9-11)12-5-4-10(14)8-13(12)17-2/h4-5,8,11,15H,3,6-7,9H2,1-2H3
InChIKeyMXSFZWLWPJFIGT-UHFFFAOYSA-N
XLogP2.02
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.31
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(4-fluoro-2-methoxyphenyl)pyrrolidin-3-amine?
The IUPAC name of N-ethyl-1-(4-fluoro-2-methoxyphenyl)pyrrolidin-3-amine (CID 54967543) is N-ethyl-1-(4-fluoro-2-methoxyphenyl)pyrrolidin-3-amine.
What is the SMILES notation for N-ethyl-1-(4-fluoro-2-methoxyphenyl)pyrrolidin-3-amine?
The canonical SMILES for N-ethyl-1-(4-fluoro-2-methoxyphenyl)pyrrolidin-3-amine is CCNC1CCN(c2ccc(F)cc2OC)C1.
What is the InChIKey of N-ethyl-1-(4-fluoro-2-methoxyphenyl)pyrrolidin-3-amine?
The InChIKey is MXSFZWLWPJFIGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O/c1-3-15-11-6-7-16(9-11)12-5-4-10(14)8-13(12)17-2/h4-5,8,11,15H,3,6-7,9H2,1-2H3.
What are the key properties of N-ethyl-1-(4-fluoro-2-methoxyphenyl)pyrrolidin-3-amine?
N-ethyl-1-(4-fluoro-2-methoxyphenyl)pyrrolidin-3-amine has a molecular weight of 238.31 g/mol, XLogP of 2.02, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(4-fluoro-2-methoxyphenyl)pyrrolidin-3-amine is sourced from PubChem (CID 54967543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).