(2-amino-5-fluorophenyl)-(2-ethylmorpholin-4-yl)methanone

C13H17FN2O2 — CID 43562755

IUPAC(2-amino-5-fluorophenyl)-(2-ethylmorpholin-4-yl)methanone
SMILESCCC1CN(C(=O)c2cc(F)ccc2N)CCO1
InChIInChI=1S/C13H17FN2O2/c1-2-10-8-16(5-6-18-10)13(17)11-7-9(14)3-4-12(11)15/h3-4,7,10H,2,5-6,8,15H2,1H3
InChIKeyIDPDQKLKGRWUCY-UHFFFAOYSA-N
MW252.29 g/mol
LogP1.66
Rot. Bonds2

About (2-amino-5-fluorophenyl)-(2-ethylmorpholin-4-yl)methanone

(2-amino-5-fluorophenyl)-(2-ethylmorpholin-4-yl)methanone (PubChem CID 43562755) has the molecular formula C13H17FN2O2 and a molecular weight of 252.29 g/mol. Its IUPAC name is (2-amino-5-fluorophenyl)-(2-ethylmorpholin-4-yl)methanone.

Molecular Properties

Compound Name(2-amino-5-fluorophenyl)-(2-ethylmorpholin-4-yl)methanone
PubChem CID43562755
Molecular FormulaC13H17FN2O2
Molecular Weight252.29 g/mol
Exact Mass252.13
IUPAC Name(2-amino-5-fluorophenyl)-(2-ethylmorpholin-4-yl)methanone
SMILESCCC1CN(C(=O)c2cc(F)ccc2N)CCO1
InChIInChI=1S/C13H17FN2O2/c1-2-10-8-16(5-6-18-10)13(17)11-7-9(14)3-4-12(11)15/h3-4,7,10H,2,5-6,8,15H2,1H3
InChIKeyIDPDQKLKGRWUCY-UHFFFAOYSA-N
XLogP1.66
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.29
LogP ≤ 51.66
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-amino-5-nitrophenyl)-(2-ethylmorpholin-4-yl)methanone
CID 62155670
(5-amino-2-bromo-4-fluorophenyl)-(2-ethylmorpholin-4-yl)methanone
CID 62814552
(5-chloro-2-fluorophenyl)-(2-ethylmorpholin-4-yl)methanone
CID 60733638
(5-amino-2-chlorophenyl)-(2-ethylmorpholin-4-yl)methanone
CID 43562207
2-(2-ethylmorpholin-4-yl)-4-fluoroaniline
CID 62377461
methyl 2-[4-(2-amino-5-chlorobenzoyl)morpholin-2-yl]acetate
CID 115533261
(2-amino-5-bromo-4-pyridinyl)-(2-ethylmorpholin-4-yl)methanone
CID 114193900
[2-(bromomethyl)morpholin-4-yl]-(2-chloro-4-fluorophenyl)methanone
CID 81211544
[4-bromo-2-(trifluoromethyl)phenyl]-(2-ethylmorpholin-4-yl)methanone
CID 103925202
(2-amino-5-fluorophenyl)-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]methanone
CID 114776111
(2-amino-5-fluorophenyl)-(3,4-dimethylpiperazin-1-yl)methanone
CID 55217325
(2-aminophenyl)-[2-(methoxymethyl)morpholin-4-yl]methanone
CID 119945594

Frequently Asked Questions

What is the IUPAC name of (2-amino-5-fluorophenyl)-(2-ethylmorpholin-4-yl)methanone?
The IUPAC name of (2-amino-5-fluorophenyl)-(2-ethylmorpholin-4-yl)methanone (CID 43562755) is (2-amino-5-fluorophenyl)-(2-ethylmorpholin-4-yl)methanone.
What is the SMILES notation for (2-amino-5-fluorophenyl)-(2-ethylmorpholin-4-yl)methanone?
The canonical SMILES for (2-amino-5-fluorophenyl)-(2-ethylmorpholin-4-yl)methanone is CCC1CN(C(=O)c2cc(F)ccc2N)CCO1.
What is the InChIKey of (2-amino-5-fluorophenyl)-(2-ethylmorpholin-4-yl)methanone?
The InChIKey is IDPDQKLKGRWUCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2O2/c1-2-10-8-16(5-6-18-10)13(17)11-7-9(14)3-4-12(11)15/h3-4,7,10H,2,5-6,8,15H2,1H3.
What are the key properties of (2-amino-5-fluorophenyl)-(2-ethylmorpholin-4-yl)methanone?
(2-amino-5-fluorophenyl)-(2-ethylmorpholin-4-yl)methanone has a molecular weight of 252.29 g/mol, XLogP of 1.66, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-5-fluorophenyl)-(2-ethylmorpholin-4-yl)methanone is sourced from PubChem (CID 43562755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).