2-(2-ethylmorpholin-4-yl)-4-fluoroaniline

C12H17FN2O — CID 62377461

IUPAC2-(2-ethylmorpholin-4-yl)-4-fluoroaniline
SMILESCCC1CN(c2cc(F)ccc2N)CCO1
InChIInChI=1S/C12H17FN2O/c1-2-10-8-15(5-6-16-10)12-7-9(13)3-4-11(12)14/h3-4,7,10H,2,5-6,8,14H2,1H3
InChIKeyCNRKILTWWAVASD-UHFFFAOYSA-N
MW224.28 g/mol
LogP2.02
Rot. Bonds2

About 2-(2-ethylmorpholin-4-yl)-4-fluoroaniline

2-(2-ethylmorpholin-4-yl)-4-fluoroaniline (PubChem CID 62377461) has the molecular formula C12H17FN2O and a molecular weight of 224.28 g/mol. Its IUPAC name is 2-(2-ethylmorpholin-4-yl)-4-fluoroaniline.

Molecular Properties

Compound Name2-(2-ethylmorpholin-4-yl)-4-fluoroaniline
PubChem CID62377461
Molecular FormulaC12H17FN2O
Molecular Weight224.28 g/mol
Exact Mass224.13
IUPAC Name2-(2-ethylmorpholin-4-yl)-4-fluoroaniline
SMILESCCC1CN(c2cc(F)ccc2N)CCO1
InChIInChI=1S/C12H17FN2O/c1-2-10-8-15(5-6-16-10)12-7-9(13)3-4-11(12)14/h3-4,7,10H,2,5-6,8,14H2,1H3
InChIKeyCNRKILTWWAVASD-UHFFFAOYSA-N
XLogP2.02
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.28
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2-ethylmorpholin-4-yl)aniline
CID 43562435
2-(2-ethylmorpholin-4-yl)-5-fluorobenzaldehyde
CID 43562829
4-bromo-2-(2-ethylmorpholin-4-yl)-5-fluoroaniline
CID 116735520
5-bromo-2-(2-ethylmorpholin-4-yl)-4-fluoroaniline
CID 66110707
4-(2-ethylmorpholin-4-yl)-2,1,3-benzoxadiazol-7-amine
CID 43562392
(2-amino-5-fluorophenyl)-(2-ethylmorpholin-4-yl)methanone
CID 43562755
2-(2-ethylmorpholin-4-yl)-6-methylpyridin-3-amine
CID 81132303
3-bromo-8-(2-ethylmorpholin-4-yl)quinolin-5-amine
CID 106949057
methyl 3-amino-4-(2-ethylmorpholin-4-yl)benzoate
CID 61306954
(1S)-1-[4-(2-ethylmorpholin-4-yl)-3-fluorophenyl]ethanol
CID 78939704
4-(2-ethylmorpholin-4-yl)-3-fluorobenzenecarboximidamide
CID 43658320
4-(2-ethylmorpholin-4-yl)-1H-pyrazol-5-amine
CID 82234961

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethylmorpholin-4-yl)-4-fluoroaniline?
The IUPAC name of 2-(2-ethylmorpholin-4-yl)-4-fluoroaniline (CID 62377461) is 2-(2-ethylmorpholin-4-yl)-4-fluoroaniline.
What is the SMILES notation for 2-(2-ethylmorpholin-4-yl)-4-fluoroaniline?
The canonical SMILES for 2-(2-ethylmorpholin-4-yl)-4-fluoroaniline is CCC1CN(c2cc(F)ccc2N)CCO1.
What is the InChIKey of 2-(2-ethylmorpholin-4-yl)-4-fluoroaniline?
The InChIKey is CNRKILTWWAVASD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2O/c1-2-10-8-15(5-6-16-10)12-7-9(13)3-4-11(12)14/h3-4,7,10H,2,5-6,8,14H2,1H3.
What are the key properties of 2-(2-ethylmorpholin-4-yl)-4-fluoroaniline?
2-(2-ethylmorpholin-4-yl)-4-fluoroaniline has a molecular weight of 224.28 g/mol, XLogP of 2.02, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethylmorpholin-4-yl)-4-fluoroaniline is sourced from PubChem (CID 62377461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).