4-(aminomethyl)-N-(2-ethoxyethyl)-N-ethyl-2,6-difluoroaniline

C13H20F2N2O — CID 63691026

IUPAC4-(aminomethyl)-N-(2-ethoxyethyl)-N-ethyl-2,6-difluoroaniline
SMILESCCOCCN(CC)c1c(F)cc(CN)cc1F
InChIInChI=1S/C13H20F2N2O/c1-3-17(5-6-18-4-2)13-11(14)7-10(9-16)8-12(13)15/h7-8H,3-6,9,16H2,1-2H3
InChIKeyQKNJOEDLJBLAHT-UHFFFAOYSA-N
MW258.31 g/mol
LogP2.29
Rot. Bonds7

About 4-(aminomethyl)-N-(2-ethoxyethyl)-N-ethyl-2,6-difluoroaniline

4-(aminomethyl)-N-(2-ethoxyethyl)-N-ethyl-2,6-difluoroaniline (PubChem CID 63691026) has the molecular formula C13H20F2N2O and a molecular weight of 258.31 g/mol. Its IUPAC name is 4-(aminomethyl)-N-(2-ethoxyethyl)-N-ethyl-2,6-difluoroaniline.

Molecular Properties

Compound Name4-(aminomethyl)-N-(2-ethoxyethyl)-N-ethyl-2,6-difluoroaniline
PubChem CID63691026
Molecular FormulaC13H20F2N2O
Molecular Weight258.31 g/mol
Exact Mass258.15
IUPAC Name4-(aminomethyl)-N-(2-ethoxyethyl)-N-ethyl-2,6-difluoroaniline
SMILESCCOCCN(CC)c1c(F)cc(CN)cc1F
InChIInChI=1S/C13H20F2N2O/c1-3-17(5-6-18-4-2)13-11(14)7-10(9-16)8-12(13)15/h7-8H,3-6,9,16H2,1-2H3
InChIKeyQKNJOEDLJBLAHT-UHFFFAOYSA-N
XLogP2.29
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.31
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[4-[2-ethoxyethyl(ethyl)amino]-3,5-difluorophenyl]methanol
CID 55226530
4-(chloromethyl)-N-(2-ethoxyethyl)-N-ethyl-2,6-difluoroaniline
CID 63698104
4-(2-aminopropyl)-N-(2-ethoxyethyl)-N-ethyl-2,6-difluoroaniline
CID 63795204
3-(aminomethyl)-N-(2-ethoxyethyl)-N-ethyl-5-fluoroaniline
CID 102814011
4-(bromomethyl)-N,N-bis(2-ethoxyethyl)-2,6-difluoroaniline
CID 107084914
4-(bromomethyl)-N-ethyl-2,6-difluoro-N-(2-methoxyethyl)aniline
CID 107081493
2-(aminomethyl)-N-(2-ethoxyethyl)-N-ethylpyridin-4-amine
CID 63697340
8-N-(2-ethoxyethyl)-8-N-ethyl-7-fluoroquinoline-5,8-diamine
CID 83165159
5-(aminomethyl)-N,N-bis(2-ethoxyethyl)pyridin-2-amine
CID 82961058
N-[[5-(aminomethyl)-2-fluorophenyl]methyl]-2-ethoxy-N-methylethanamine
CID 81059786
[2-[2-ethoxyethyl(ethyl)amino]-3-fluorophenyl]methanol
CID 114067502
3-(aminomethyl)-N-(2-ethoxyethyl)-N-ethylpyrazin-2-amine
CID 63697339

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-(2-ethoxyethyl)-N-ethyl-2,6-difluoroaniline?
The IUPAC name of 4-(aminomethyl)-N-(2-ethoxyethyl)-N-ethyl-2,6-difluoroaniline (CID 63691026) is 4-(aminomethyl)-N-(2-ethoxyethyl)-N-ethyl-2,6-difluoroaniline.
What is the SMILES notation for 4-(aminomethyl)-N-(2-ethoxyethyl)-N-ethyl-2,6-difluoroaniline?
The canonical SMILES for 4-(aminomethyl)-N-(2-ethoxyethyl)-N-ethyl-2,6-difluoroaniline is CCOCCN(CC)c1c(F)cc(CN)cc1F.
What is the InChIKey of 4-(aminomethyl)-N-(2-ethoxyethyl)-N-ethyl-2,6-difluoroaniline?
The InChIKey is QKNJOEDLJBLAHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20F2N2O/c1-3-17(5-6-18-4-2)13-11(14)7-10(9-16)8-12(13)15/h7-8H,3-6,9,16H2,1-2H3.
What are the key properties of 4-(aminomethyl)-N-(2-ethoxyethyl)-N-ethyl-2,6-difluoroaniline?
4-(aminomethyl)-N-(2-ethoxyethyl)-N-ethyl-2,6-difluoroaniline has a molecular weight of 258.31 g/mol, XLogP of 2.29, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-(2-ethoxyethyl)-N-ethyl-2,6-difluoroaniline is sourced from PubChem (CID 63691026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).