N-[(4-ethylmorpholin-2-yl)methyl]-3-fluoroaniline

C13H19FN2O — CID 79166710

IUPACN-[(4-ethylmorpholin-2-yl)methyl]-3-fluoroaniline
SMILESCCN1CCOC(CNc2cccc(F)c2)C1
InChIInChI=1S/C13H19FN2O/c1-2-16-6-7-17-13(10-16)9-15-12-5-3-4-11(14)8-12/h3-5,8,13,15H,2,6-7,9-10H2,1H3
InChIKeyNWMKTPILTOXLMZ-UHFFFAOYSA-N
MW238.31 g/mol
LogP1.96
Rot. Bonds4

About N-[(4-ethylmorpholin-2-yl)methyl]-3-fluoroaniline

N-[(4-ethylmorpholin-2-yl)methyl]-3-fluoroaniline (PubChem CID 79166710) has the molecular formula C13H19FN2O and a molecular weight of 238.31 g/mol. Its IUPAC name is N-[(4-ethylmorpholin-2-yl)methyl]-3-fluoroaniline.

Molecular Properties

Compound NameN-[(4-ethylmorpholin-2-yl)methyl]-3-fluoroaniline
PubChem CID79166710
Molecular FormulaC13H19FN2O
Molecular Weight238.31 g/mol
Exact Mass238.15
IUPAC NameN-[(4-ethylmorpholin-2-yl)methyl]-3-fluoroaniline
SMILESCCN1CCOC(CNc2cccc(F)c2)C1
InChIInChI=1S/C13H19FN2O/c1-2-16-6-7-17-13(10-16)9-15-12-5-3-4-11(14)8-12/h3-5,8,13,15H,2,6-7,9-10H2,1H3
InChIKeyNWMKTPILTOXLMZ-UHFFFAOYSA-N
XLogP1.96
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.31
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(4-ethylmorpholin-2-yl)methyl]-3-fluoroaniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(2-ethylmorpholin-4-yl)ethyl]-3-fluoroaniline
CID 62560597
N-[(4-ethylmorpholin-2-yl)methyl]-3,4,5-trifluoroaniline
CID 79165761
N-[(4-ethylmorpholin-2-yl)methyl]-1-(3-fluorophenyl)ethanamine
CID 78946838
2-chloro-N-[(4-ethylmorpholin-2-yl)methyl]-4-fluoroaniline
CID 79164853
4-bromo-N-[(4-ethylmorpholin-2-yl)methyl]-3-methylaniline
CID 79165325
N-[(4-ethylmorpholin-2-yl)methyl]-3-fluoro-2-methylaniline
CID 79166538
N-[(4-ethylmorpholin-2-yl)methyl]pyridin-4-amine
CID 114400660
1-N-[(4-ethylmorpholin-2-yl)methyl]-3-fluorobenzene-1,2-diamine
CID 114399471
N-[(4-ethylmorpholin-2-yl)methyl]-4-methoxy-3-methylaniline
CID 79166344
N-[(4-ethylmorpholin-2-yl)methyl]-4-propylaniline
CID 79166530
4-[(4-ethylmorpholin-2-yl)methylamino]benzamide
CID 79166709
3,5-difluoro-N-[(4-methylmorpholin-2-yl)methyl]aniline
CID 79171790

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethylmorpholin-2-yl)methyl]-3-fluoroaniline?
The IUPAC name of N-[(4-ethylmorpholin-2-yl)methyl]-3-fluoroaniline (CID 79166710) is N-[(4-ethylmorpholin-2-yl)methyl]-3-fluoroaniline.
What is the SMILES notation for N-[(4-ethylmorpholin-2-yl)methyl]-3-fluoroaniline?
The canonical SMILES for N-[(4-ethylmorpholin-2-yl)methyl]-3-fluoroaniline is CCN1CCOC(CNc2cccc(F)c2)C1.
What is the InChIKey of N-[(4-ethylmorpholin-2-yl)methyl]-3-fluoroaniline?
The InChIKey is NWMKTPILTOXLMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O/c1-2-16-6-7-17-13(10-16)9-15-12-5-3-4-11(14)8-12/h3-5,8,13,15H,2,6-7,9-10H2,1H3.
What are the key properties of N-[(4-ethylmorpholin-2-yl)methyl]-3-fluoroaniline?
N-[(4-ethylmorpholin-2-yl)methyl]-3-fluoroaniline has a molecular weight of 238.31 g/mol, XLogP of 1.96, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethylmorpholin-2-yl)methyl]-3-fluoroaniline is sourced from PubChem (CID 79166710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).