4-[[bis(2-ethoxyethyl)amino]methyl]-2-fluoroaniline

C15H25FN2O2 — CID 82965656

IUPAC4-[[bis(2-ethoxyethyl)amino]methyl]-2-fluoroaniline
SMILESCCOCCN(CCOCC)Cc1ccc(N)c(F)c1
InChIInChI=1S/C15H25FN2O2/c1-3-19-9-7-18(8-10-20-4-2)12-13-5-6-15(17)14(16)11-13/h5-6,11H,3-4,7-10,12,17H2,1-2H3
InChIKeyIDMICLDWMMAHPD-UHFFFAOYSA-N
MW284.38 g/mol
LogP2.28
Rot. Bonds10

About 4-[[bis(2-ethoxyethyl)amino]methyl]-2-fluoroaniline

4-[[bis(2-ethoxyethyl)amino]methyl]-2-fluoroaniline (PubChem CID 82965656) has the molecular formula C15H25FN2O2 and a molecular weight of 284.38 g/mol. Its IUPAC name is 4-[[bis(2-ethoxyethyl)amino]methyl]-2-fluoroaniline.

Molecular Properties

Compound Name4-[[bis(2-ethoxyethyl)amino]methyl]-2-fluoroaniline
PubChem CID82965656
Molecular FormulaC15H25FN2O2
Molecular Weight284.38 g/mol
Exact Mass284.19
IUPAC Name4-[[bis(2-ethoxyethyl)amino]methyl]-2-fluoroaniline
SMILESCCOCCN(CCOCC)Cc1ccc(N)c(F)c1
InChIInChI=1S/C15H25FN2O2/c1-3-19-9-7-18(8-10-20-4-2)12-13-5-6-15(17)14(16)11-13/h5-6,11H,3-4,7-10,12,17H2,1-2H3
InChIKeyIDMICLDWMMAHPD-UHFFFAOYSA-N
XLogP2.28
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[[bis(2-ethoxyethyl)amino]methyl]aniline
CID 82965943
2-chloro-5-[[2-ethoxyethyl(ethyl)amino]methyl]aniline
CID 63697878
4-[[2-ethoxyethyl(methyl)amino]methyl]-2-methylaniline
CID 81055776
2-fluoro-4-[[2-methoxyethyl(propan-2-yl)amino]methyl]aniline
CID 82948357
N'-benzyl-N'-(2-ethoxyethyl)propane-1,3-diamine
CID 107367178
4-[[ethyl(propan-2-yl)amino]methyl]-2-fluoroaniline
CID 63188681
N-[(3,4-difluorophenyl)methyl]-N-propylpropan-1-amine
CID 78821646
N-[[5-(aminomethyl)-2-fluorophenyl]methyl]-2-ethoxy-N-methylethanamine
CID 81059786
2-N-(2-ethoxyethyl)-3,4-difluoro-2-N-methylbenzene-1,2-diamine
CID 81059459
4-[(N-ethyl-4-fluoroanilino)methyl]-2-fluoroaniline
CID 63189385
N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-2-ethoxy-N-ethylethanamine
CID 103998308
2-[[bis(2-ethoxyethyl)amino]methyl]-6-fluorophenol
CID 115958911

Frequently Asked Questions

What is the IUPAC name of 4-[[bis(2-ethoxyethyl)amino]methyl]-2-fluoroaniline?
The IUPAC name of 4-[[bis(2-ethoxyethyl)amino]methyl]-2-fluoroaniline (CID 82965656) is 4-[[bis(2-ethoxyethyl)amino]methyl]-2-fluoroaniline.
What is the SMILES notation for 4-[[bis(2-ethoxyethyl)amino]methyl]-2-fluoroaniline?
The canonical SMILES for 4-[[bis(2-ethoxyethyl)amino]methyl]-2-fluoroaniline is CCOCCN(CCOCC)Cc1ccc(N)c(F)c1.
What is the InChIKey of 4-[[bis(2-ethoxyethyl)amino]methyl]-2-fluoroaniline?
The InChIKey is IDMICLDWMMAHPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25FN2O2/c1-3-19-9-7-18(8-10-20-4-2)12-13-5-6-15(17)14(16)11-13/h5-6,11H,3-4,7-10,12,17H2,1-2H3.
What are the key properties of 4-[[bis(2-ethoxyethyl)amino]methyl]-2-fluoroaniline?
4-[[bis(2-ethoxyethyl)amino]methyl]-2-fluoroaniline has a molecular weight of 284.38 g/mol, XLogP of 2.28, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[bis(2-ethoxyethyl)amino]methyl]-2-fluoroaniline is sourced from PubChem (CID 82965656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).