4-[(2,5-dimethylmorpholin-4-yl)methyl]-2-fluoroaniline

C13H19FN2O — CID 55159075

IUPAC4-[(2,5-dimethylmorpholin-4-yl)methyl]-2-fluoroaniline
SMILESCC1CN(Cc2ccc(N)c(F)c2)C(C)CO1
InChIInChI=1S/C13H19FN2O/c1-9-8-17-10(2)6-16(9)7-11-3-4-13(15)12(14)5-11/h3-5,9-10H,6-8,15H2,1-2H3
InChIKeyBXQZJSSJNLEDJT-UHFFFAOYSA-N
MW238.31 g/mol
LogP2.02
Rot. Bonds2

About 4-[(2,5-dimethylmorpholin-4-yl)methyl]-2-fluoroaniline

4-[(2,5-dimethylmorpholin-4-yl)methyl]-2-fluoroaniline (PubChem CID 55159075) has the molecular formula C13H19FN2O and a molecular weight of 238.31 g/mol. Its IUPAC name is 4-[(2,5-dimethylmorpholin-4-yl)methyl]-2-fluoroaniline.

Molecular Properties

Compound Name4-[(2,5-dimethylmorpholin-4-yl)methyl]-2-fluoroaniline
PubChem CID55159075
Molecular FormulaC13H19FN2O
Molecular Weight238.31 g/mol
Exact Mass238.15
IUPAC Name4-[(2,5-dimethylmorpholin-4-yl)methyl]-2-fluoroaniline
SMILESCC1CN(Cc2ccc(N)c(F)c2)C(C)CO1
InChIInChI=1S/C13H19FN2O/c1-9-8-17-10(2)6-16(9)7-11-3-4-13(15)12(14)5-11/h3-5,9-10H,6-8,15H2,1-2H3
InChIKeyBXQZJSSJNLEDJT-UHFFFAOYSA-N
XLogP2.02
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.31
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-bromo-4-[(2,5-dimethylmorpholin-4-yl)methyl]phenol
CID 82977068
6-[(2,5-dimethylmorpholin-4-yl)methyl]-1,3-benzothiazol-2-amine
CID 65348845
[5-[(2,5-dimethylmorpholin-4-yl)methyl]-2-methoxyphenyl]methanamine
CID 65340989
5-[(2,5-dimethylmorpholin-4-yl)methyl]-2-methoxybenzenecarbothioamide
CID 65339637
5-[(5-ethyl-2-methylmorpholin-4-yl)methyl]-2-fluorobenzenecarbothioamide
CID 107879237
4-[(2,5-dimethylmorpholin-4-yl)methyl]-N-methylpyridin-2-amine
CID 62472249
2-chloro-5-[(5-ethyl-2-methylmorpholin-4-yl)methyl]aniline
CID 43575083
1-[(4-amino-3-fluorophenyl)methyl]pyrrolidine-3,4-diol
CID 106667782
2-[4-(2,5-dimethylmorpholin-4-yl)-3-fluorophenyl]ethanamine
CID 55236575
[4-[[3-(3-aminoprop-1-ynyl)-4-fluorophenyl]methyl]-5-methylmorpholin-2-yl]methanol
CID 81208434
methyl 3-[(2,5-dimethylmorpholin-4-yl)methyl]benzoate
CID 134007278
3-[(2,5-dimethylmorpholin-4-yl)methyl]pyridin-2-amine
CID 62471712

Frequently Asked Questions

What is the IUPAC name of 4-[(2,5-dimethylmorpholin-4-yl)methyl]-2-fluoroaniline?
The IUPAC name of 4-[(2,5-dimethylmorpholin-4-yl)methyl]-2-fluoroaniline (CID 55159075) is 4-[(2,5-dimethylmorpholin-4-yl)methyl]-2-fluoroaniline.
What is the SMILES notation for 4-[(2,5-dimethylmorpholin-4-yl)methyl]-2-fluoroaniline?
The canonical SMILES for 4-[(2,5-dimethylmorpholin-4-yl)methyl]-2-fluoroaniline is CC1CN(Cc2ccc(N)c(F)c2)C(C)CO1.
What is the InChIKey of 4-[(2,5-dimethylmorpholin-4-yl)methyl]-2-fluoroaniline?
The InChIKey is BXQZJSSJNLEDJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O/c1-9-8-17-10(2)6-16(9)7-11-3-4-13(15)12(14)5-11/h3-5,9-10H,6-8,15H2,1-2H3.
What are the key properties of 4-[(2,5-dimethylmorpholin-4-yl)methyl]-2-fluoroaniline?
4-[(2,5-dimethylmorpholin-4-yl)methyl]-2-fluoroaniline has a molecular weight of 238.31 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 4-[(2,5-dimethylmorpholin-4-yl)methyl]-2-fluoroaniline is sourced from PubChem (CID 55159075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).