N-ethyl-3-fluoro-4-morpholin-4-ylaniline

C12H17FN2O — CID 123788462

IUPACN-ethyl-3-fluoro-4-morpholin-4-ylaniline
SMILESCCNc1ccc(N2CCOCC2)c(F)c1
InChIInChI=1S/C12H17FN2O/c1-2-14-10-3-4-12(11(13)9-10)15-5-7-16-8-6-15/h3-4,9,14H,2,5-8H2,1H3
InChIKeyJUZPATNHNIZSAN-UHFFFAOYSA-N
MW224.28 g/mol
LogP2.09
Rot. Bonds3

About N-ethyl-3-fluoro-4-morpholin-4-ylaniline

N-ethyl-3-fluoro-4-morpholin-4-ylaniline (PubChem CID 123788462) has the molecular formula C12H17FN2O and a molecular weight of 224.28 g/mol. Its IUPAC name is N-ethyl-3-fluoro-4-morpholin-4-ylaniline.

Molecular Properties

Compound NameN-ethyl-3-fluoro-4-morpholin-4-ylaniline
PubChem CID123788462
Molecular FormulaC12H17FN2O
Molecular Weight224.28 g/mol
Exact Mass224.13
IUPAC NameN-ethyl-3-fluoro-4-morpholin-4-ylaniline
SMILESCCNc1ccc(N2CCOCC2)c(F)c1
InChIInChI=1S/C12H17FN2O/c1-2-14-10-3-4-12(11(13)9-10)15-5-7-16-8-6-15/h3-4,9,14H,2,5-8H2,1H3
InChIKeyJUZPATNHNIZSAN-UHFFFAOYSA-N
XLogP2.09
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.28
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-fluoro-4-morpholin-4-ylaniline?
The IUPAC name of N-ethyl-3-fluoro-4-morpholin-4-ylaniline (CID 123788462) is N-ethyl-3-fluoro-4-morpholin-4-ylaniline.
What is the SMILES notation for N-ethyl-3-fluoro-4-morpholin-4-ylaniline?
The canonical SMILES for N-ethyl-3-fluoro-4-morpholin-4-ylaniline is CCNc1ccc(N2CCOCC2)c(F)c1.
What is the InChIKey of N-ethyl-3-fluoro-4-morpholin-4-ylaniline?
The InChIKey is JUZPATNHNIZSAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2O/c1-2-14-10-3-4-12(11(13)9-10)15-5-7-16-8-6-15/h3-4,9,14H,2,5-8H2,1H3.
What are the key properties of N-ethyl-3-fluoro-4-morpholin-4-ylaniline?
N-ethyl-3-fluoro-4-morpholin-4-ylaniline has a molecular weight of 224.28 g/mol, XLogP of 2.09, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-fluoro-4-morpholin-4-ylaniline is sourced from PubChem (CID 123788462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).