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

C13H18ClF2NO — CID 63698104

IUPAC4-(chloromethyl)-N-(2-ethoxyethyl)-N-ethyl-2,6-difluoroaniline
SMILESCCOCCN(CC)c1c(F)cc(CCl)cc1F
InChIInChI=1S/C13H18ClF2NO/c1-3-17(5-6-18-4-2)13-11(15)7-10(9-14)8-12(13)16/h7-8H,3-6,9H2,1-2H3
InChIKeyGEZPFLHHYVSXBD-UHFFFAOYSA-N
MW277.74 g/mol
LogP3.57
Rot. Bonds7

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

4-(chloromethyl)-N-(2-ethoxyethyl)-N-ethyl-2,6-difluoroaniline (PubChem CID 63698104) has the molecular formula C13H18ClF2NO and a molecular weight of 277.74 g/mol. Its IUPAC name is 4-(chloromethyl)-N-(2-ethoxyethyl)-N-ethyl-2,6-difluoroaniline.

Molecular Properties

Compound Name4-(chloromethyl)-N-(2-ethoxyethyl)-N-ethyl-2,6-difluoroaniline
PubChem CID63698104
Molecular FormulaC13H18ClF2NO
Molecular Weight277.74 g/mol
Exact Mass277.10
IUPAC Name4-(chloromethyl)-N-(2-ethoxyethyl)-N-ethyl-2,6-difluoroaniline
SMILESCCOCCN(CC)c1c(F)cc(CCl)cc1F
InChIInChI=1S/C13H18ClF2NO/c1-3-17(5-6-18-4-2)13-11(15)7-10(9-14)8-12(13)16/h7-8H,3-6,9H2,1-2H3
InChIKeyGEZPFLHHYVSXBD-UHFFFAOYSA-N
XLogP3.57
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.74
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[4-[2-ethoxyethyl(ethyl)amino]-3,5-difluorophenyl]methanol
CID 55226530
4-(aminomethyl)-N-(2-ethoxyethyl)-N-ethyl-2,6-difluoroaniline
CID 63691026
4-(chloromethyl)-N-ethyl-2,6-difluoro-N-propylaniline
CID 63077412
4-(2-aminopropyl)-N-(2-ethoxyethyl)-N-ethyl-2,6-difluoroaniline
CID 63795204
4-(bromomethyl)-N,N-bis(2-ethoxyethyl)-2,6-difluoroaniline
CID 107084914
4-(chloromethyl)-2,6-difluoro-N,N-dipropylaniline
CID 63539614
4-(bromomethyl)-N-ethyl-2,6-difluoro-N-(2-methoxyethyl)aniline
CID 107081493
2-(chloromethyl)-N-(2-ethoxyethyl)-N-ethylpyridin-4-amine
CID 63691033
4-(chloromethyl)-N-ethyl-2-fluoro-N-(2-methoxyethyl)aniline
CID 61446258
[2-[2-ethoxyethyl(ethyl)amino]-3-fluorophenyl]methanol
CID 114067502
4-(chloromethyl)-1-(3-ethoxypropoxy)-2-fluorobenzene
CID 107691448
8-N-(2-ethoxyethyl)-8-N-ethyl-7-fluoroquinoline-5,8-diamine
CID 83165159

Frequently Asked Questions

What is the IUPAC name of 4-(chloromethyl)-N-(2-ethoxyethyl)-N-ethyl-2,6-difluoroaniline?
The IUPAC name of 4-(chloromethyl)-N-(2-ethoxyethyl)-N-ethyl-2,6-difluoroaniline (CID 63698104) is 4-(chloromethyl)-N-(2-ethoxyethyl)-N-ethyl-2,6-difluoroaniline.
What is the SMILES notation for 4-(chloromethyl)-N-(2-ethoxyethyl)-N-ethyl-2,6-difluoroaniline?
The canonical SMILES for 4-(chloromethyl)-N-(2-ethoxyethyl)-N-ethyl-2,6-difluoroaniline is CCOCCN(CC)c1c(F)cc(CCl)cc1F.
What is the InChIKey of 4-(chloromethyl)-N-(2-ethoxyethyl)-N-ethyl-2,6-difluoroaniline?
The InChIKey is GEZPFLHHYVSXBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClF2NO/c1-3-17(5-6-18-4-2)13-11(15)7-10(9-14)8-12(13)16/h7-8H,3-6,9H2,1-2H3.
What are the key properties of 4-(chloromethyl)-N-(2-ethoxyethyl)-N-ethyl-2,6-difluoroaniline?
4-(chloromethyl)-N-(2-ethoxyethyl)-N-ethyl-2,6-difluoroaniline has a molecular weight of 277.74 g/mol, XLogP of 3.57, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-N-(2-ethoxyethyl)-N-ethyl-2,6-difluoroaniline is sourced from PubChem (CID 63698104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).