3-fluoro-4-methoxy-N-[(4-methylmorpholin-2-yl)methyl]aniline

C13H19FN2O2 — CID 79172561

IUPAC3-fluoro-4-methoxy-N-[(4-methylmorpholin-2-yl)methyl]aniline
SMILESCOc1ccc(NCC2CN(C)CCO2)cc1F
InChIInChI=1S/C13H19FN2O2/c1-16-5-6-18-11(9-16)8-15-10-3-4-13(17-2)12(14)7-10/h3-4,7,11,15H,5-6,8-9H2,1-2H3
InChIKeyUKRXFEQYQCMWBB-UHFFFAOYSA-N
MW254.30 g/mol
LogP1.58
Rot. Bonds4

About 3-fluoro-4-methoxy-N-[(4-methylmorpholin-2-yl)methyl]aniline

3-fluoro-4-methoxy-N-[(4-methylmorpholin-2-yl)methyl]aniline (PubChem CID 79172561) has the molecular formula C13H19FN2O2 and a molecular weight of 254.30 g/mol. Its IUPAC name is 3-fluoro-4-methoxy-N-[(4-methylmorpholin-2-yl)methyl]aniline.

Molecular Properties

Compound Name3-fluoro-4-methoxy-N-[(4-methylmorpholin-2-yl)methyl]aniline
PubChem CID79172561
Molecular FormulaC13H19FN2O2
Molecular Weight254.30 g/mol
Exact Mass254.14
IUPAC Name3-fluoro-4-methoxy-N-[(4-methylmorpholin-2-yl)methyl]aniline
SMILESCOc1ccc(NCC2CN(C)CCO2)cc1F
InChIInChI=1S/C13H19FN2O2/c1-16-5-6-18-11(9-16)8-15-10-3-4-13(17-2)12(14)7-10/h3-4,7,11,15H,5-6,8-9H2,1-2H3
InChIKeyUKRXFEQYQCMWBB-UHFFFAOYSA-N
XLogP1.58
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.30
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

N-[(3-fluoro-4-methoxyphenyl)methyl]-1-(4-methylmorpholin-2-yl)methanamine
CID 78943139
3-chloro-4-fluoro-N-[(4-methylmorpholin-2-yl)methyl]aniline
CID 83107478
2-fluoro-4-[(4-methylmorpholin-2-yl)methylamino]benzonitrile
CID 115367637
4-fluoro-N-[(4-methylmorpholin-2-yl)methyl]-3-(trifluoromethyl)aniline
CID 79171600
3,5-difluoro-N-[(4-methylmorpholin-2-yl)methyl]aniline
CID 79171790
3-(chloromethyl)-4-ethoxy-N-[(4-methylmorpholin-2-yl)methyl]aniline
CID 79182835
4-fluoro-5-methoxy-N-[(4-methylmorpholin-2-yl)methyl]-2-nitroaniline
CID 133360531
3-(methoxymethyl)-N-[(4-methylmorpholin-2-yl)methyl]aniline
CID 79171120
N-[(4-ethylmorpholin-2-yl)methyl]-4-methoxy-3-methylaniline
CID 79166344
5-chloro-2,4-dimethoxy-N-[(4-methylmorpholin-2-yl)methyl]aniline
CID 79172466
N-[(3-chloro-4-methoxyphenyl)methyl]-1-(4-methylmorpholin-2-yl)methanamine
CID 79032915
1-(3,4-dimethoxyphenyl)-2-[(4-methylmorpholin-2-yl)methyl]guanidine;hydroiodide
CID 111091297

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-methoxy-N-[(4-methylmorpholin-2-yl)methyl]aniline?
The IUPAC name of 3-fluoro-4-methoxy-N-[(4-methylmorpholin-2-yl)methyl]aniline (CID 79172561) is 3-fluoro-4-methoxy-N-[(4-methylmorpholin-2-yl)methyl]aniline.
What is the SMILES notation for 3-fluoro-4-methoxy-N-[(4-methylmorpholin-2-yl)methyl]aniline?
The canonical SMILES for 3-fluoro-4-methoxy-N-[(4-methylmorpholin-2-yl)methyl]aniline is COc1ccc(NCC2CN(C)CCO2)cc1F.
What is the InChIKey of 3-fluoro-4-methoxy-N-[(4-methylmorpholin-2-yl)methyl]aniline?
The InChIKey is UKRXFEQYQCMWBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O2/c1-16-5-6-18-11(9-16)8-15-10-3-4-13(17-2)12(14)7-10/h3-4,7,11,15H,5-6,8-9H2,1-2H3.
What are the key properties of 3-fluoro-4-methoxy-N-[(4-methylmorpholin-2-yl)methyl]aniline?
3-fluoro-4-methoxy-N-[(4-methylmorpholin-2-yl)methyl]aniline has a molecular weight of 254.30 g/mol, XLogP of 1.58, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-methoxy-N-[(4-methylmorpholin-2-yl)methyl]aniline is sourced from PubChem (CID 79172561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).