5-fluoro-2-(2-morpholin-4-ylethoxy)aniline

C12H17FN2O2 — CID 19627164

IUPAC5-fluoro-2-(2-morpholin-4-ylethoxy)aniline
SMILESNc1cc(F)ccc1OCCN1CCOCC1
InChIInChI=1S/C12H17FN2O2/c13-10-1-2-12(11(14)9-10)17-8-5-15-3-6-16-7-4-15/h1-2,9H,3-8,14H2
InChIKeyLNEJHDOGQULOTB-UHFFFAOYSA-N
MW240.28 g/mol
LogP1.12
Rot. Bonds4

About 5-fluoro-2-(2-morpholin-4-ylethoxy)aniline

5-fluoro-2-(2-morpholin-4-ylethoxy)aniline (PubChem CID 19627164) has the molecular formula C12H17FN2O2 and a molecular weight of 240.28 g/mol. Its IUPAC name is 5-fluoro-2-(2-morpholin-4-ylethoxy)aniline.

Molecular Properties

Compound Name5-fluoro-2-(2-morpholin-4-ylethoxy)aniline
PubChem CID19627164
Molecular FormulaC12H17FN2O2
Molecular Weight240.28 g/mol
Exact Mass240.13
IUPAC Name5-fluoro-2-(2-morpholin-4-ylethoxy)aniline
SMILESNc1cc(F)ccc1OCCN1CCOCC1
InChIInChI=1S/C12H17FN2O2/c13-10-1-2-12(11(14)9-10)17-8-5-15-3-6-16-7-4-15/h1-2,9H,3-8,14H2
InChIKeyLNEJHDOGQULOTB-UHFFFAOYSA-N
XLogP1.12
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.28
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

o-Phenetidine
CID 7203
1-(2-Methoxyphenyl)piperazine
CID 1346
3-Methyl-3,4-dihydro-2H-1,4-benzoxazine
CID 2763760
1-(2-Ethoxyphenyl)piperazine
CID 83357
2-Butoxyaniline
CID 138265
N-(2-Methoxyphenyl)piperazine hydrochloride
CID 9899402
1-[2-(Propan-2-yloxy)phenyl]piperazine
CID 10944016
2-(2,2,2-Trifluoroethoxy)aniline
CID 2777117
2-[2-(2-Aminophenoxy)ethoxy]aniline
CID 1811074
1-(2-Methoxyphenyl)-4-propylpiperazine
CID 410747
2-(Allyloxy)aniline
CID 6486639
1-Butyl-4-(2-methoxy-phenyl)-piperazine
CID 10354670

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-(2-morpholin-4-ylethoxy)aniline?
The IUPAC name of 5-fluoro-2-(2-morpholin-4-ylethoxy)aniline (CID 19627164) is 5-fluoro-2-(2-morpholin-4-ylethoxy)aniline.
What is the SMILES notation for 5-fluoro-2-(2-morpholin-4-ylethoxy)aniline?
The canonical SMILES for 5-fluoro-2-(2-morpholin-4-ylethoxy)aniline is Nc1cc(F)ccc1OCCN1CCOCC1.
What is the InChIKey of 5-fluoro-2-(2-morpholin-4-ylethoxy)aniline?
The InChIKey is LNEJHDOGQULOTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2O2/c13-10-1-2-12(11(14)9-10)17-8-5-15-3-6-16-7-4-15/h1-2,9H,3-8,14H2.
What are the key properties of 5-fluoro-2-(2-morpholin-4-ylethoxy)aniline?
5-fluoro-2-(2-morpholin-4-ylethoxy)aniline has a molecular weight of 240.28 g/mol, XLogP of 1.12, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-(2-morpholin-4-ylethoxy)aniline is sourced from PubChem (CID 19627164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).