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

C12H17FN2O2 — CID 113458214

IUPAC3-fluoro-2-(2-morpholin-4-ylethoxy)aniline
SMILESNc1cccc(F)c1OCCN1CCOCC1
InChIInChI=1S/C12H17FN2O2/c13-10-2-1-3-11(14)12(10)17-9-6-15-4-7-16-8-5-15/h1-3H,4-9,14H2
InChIKeyHSPMIODEHYDCPY-UHFFFAOYSA-N
MW240.28 g/mol
LogP1.12
Rot. Bonds4

About 3-fluoro-2-(2-morpholin-4-ylethoxy)aniline

3-fluoro-2-(2-morpholin-4-ylethoxy)aniline (PubChem CID 113458214) has the molecular formula C12H17FN2O2 and a molecular weight of 240.28 g/mol. Its IUPAC name is 3-fluoro-2-(2-morpholin-4-ylethoxy)aniline.

Molecular Properties

Compound Name3-fluoro-2-(2-morpholin-4-ylethoxy)aniline
PubChem CID113458214
Molecular FormulaC12H17FN2O2
Molecular Weight240.28 g/mol
Exact Mass240.13
IUPAC Name3-fluoro-2-(2-morpholin-4-ylethoxy)aniline
SMILESNc1cccc(F)c1OCCN1CCOCC1
InChIInChI=1S/C12H17FN2O2/c13-10-2-1-3-11(14)12(10)17-9-6-15-4-7-16-8-5-15/h1-3H,4-9,14H2
InChIKeyHSPMIODEHYDCPY-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

3-(2-morpholin-4-ylethoxy)benzene-1,2-diamine
CID 91269103
3-fluoro-2-(2-morpholin-4-ylethoxy)benzoic acid
CID 112612211
N-[[3-fluoro-2-(2-morpholin-4-ylethoxy)phenyl]methyl]propan-2-amine
CID 115955088
4-[2-[2-(2-fluorophenoxy)ethoxy]ethyl]morpholine
CID 27267565
7-(2-morpholin-4-ylethoxy)-1H-indol-4-amine
CID 67987182
2-(2-morpholin-4-ylethyl)benzene-1,3-diamine
CID 140755433
4-(2-morpholin-4-ylethoxy)aniline;hydrochloride
CID 89422137
4-[2-(2,3-difluoro-4-methylphenoxy)ethyl]morpholine
CID 123286014
4-[2-(2,3-dichlorophenoxy)ethyl]morpholine
CID 869488
(1S)-1-[2-(2-morpholin-4-ylethoxy)phenyl]ethanamine
CID 78936484
3-fluoro-4-(2-morpholin-4-ylethoxy)benzamide
CID 22318780
3-fluoro-2-[2-(oxolan-2-yl)ethoxy]aniline
CID 104831301

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2-(2-morpholin-4-ylethoxy)aniline?
The IUPAC name of 3-fluoro-2-(2-morpholin-4-ylethoxy)aniline (CID 113458214) is 3-fluoro-2-(2-morpholin-4-ylethoxy)aniline.
What is the SMILES notation for 3-fluoro-2-(2-morpholin-4-ylethoxy)aniline?
The canonical SMILES for 3-fluoro-2-(2-morpholin-4-ylethoxy)aniline is Nc1cccc(F)c1OCCN1CCOCC1.
What is the InChIKey of 3-fluoro-2-(2-morpholin-4-ylethoxy)aniline?
The InChIKey is HSPMIODEHYDCPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2O2/c13-10-2-1-3-11(14)12(10)17-9-6-15-4-7-16-8-5-15/h1-3H,4-9,14H2.
What are the key properties of 3-fluoro-2-(2-morpholin-4-ylethoxy)aniline?
3-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 3-fluoro-2-(2-morpholin-4-ylethoxy)aniline is sourced from PubChem (CID 113458214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).