2-fluoro-N-(2-morpholin-4-ylethyl)aniline

C12H17FN2O — CID 28581820

IUPAC2-fluoro-N-(2-morpholin-4-ylethyl)aniline
SMILESFc1ccccc1NCCN1CCOCC1
InChIInChI=1S/C12H17FN2O/c13-11-3-1-2-4-12(11)14-5-6-15-7-9-16-10-8-15/h1-4,14H,5-10H2
InChIKeyXTUKLPCGSNKBGD-UHFFFAOYSA-N
MW224.28 g/mol
LogP1.57
Rot. Bonds4

About 2-fluoro-N-(2-morpholin-4-ylethyl)aniline

2-fluoro-N-(2-morpholin-4-ylethyl)aniline (PubChem CID 28581820) has the molecular formula C12H17FN2O and a molecular weight of 224.28 g/mol. Its IUPAC name is 2-fluoro-N-(2-morpholin-4-ylethyl)aniline.

Molecular Properties

Compound Name2-fluoro-N-(2-morpholin-4-ylethyl)aniline
PubChem CID28581820
Molecular FormulaC12H17FN2O
Molecular Weight224.28 g/mol
Exact Mass224.13
IUPAC Name2-fluoro-N-(2-morpholin-4-ylethyl)aniline
SMILESFc1ccccc1NCCN1CCOCC1
InChIInChI=1S/C12H17FN2O/c13-11-3-1-2-4-12(11)14-5-6-15-7-9-16-10-8-15/h1-4,14H,5-10H2
InChIKeyXTUKLPCGSNKBGD-UHFFFAOYSA-N
XLogP1.57
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.28
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-(2-morpholin-4-ylethyl)aniline?
The IUPAC name of 2-fluoro-N-(2-morpholin-4-ylethyl)aniline (CID 28581820) is 2-fluoro-N-(2-morpholin-4-ylethyl)aniline.
What is the SMILES notation for 2-fluoro-N-(2-morpholin-4-ylethyl)aniline?
The canonical SMILES for 2-fluoro-N-(2-morpholin-4-ylethyl)aniline is Fc1ccccc1NCCN1CCOCC1.
What is the InChIKey of 2-fluoro-N-(2-morpholin-4-ylethyl)aniline?
The InChIKey is XTUKLPCGSNKBGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2O/c13-11-3-1-2-4-12(11)14-5-6-15-7-9-16-10-8-15/h1-4,14H,5-10H2.
What are the key properties of 2-fluoro-N-(2-morpholin-4-ylethyl)aniline?
2-fluoro-N-(2-morpholin-4-ylethyl)aniline has a molecular weight of 224.28 g/mol, XLogP of 1.57, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-(2-morpholin-4-ylethyl)aniline is sourced from PubChem (CID 28581820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).