4-(bromomethyl)-N,N-bis(2-ethoxyethyl)-2,6-difluoroaniline

C15H22BrF2NO2 — CID 107084914

IUPAC4-(bromomethyl)-N,N-bis(2-ethoxyethyl)-2,6-difluoroaniline
SMILESCCOCCN(CCOCC)c1c(F)cc(CBr)cc1F
InChIInChI=1S/C15H22BrF2NO2/c1-3-20-7-5-19(6-8-21-4-2)15-13(17)9-12(11-16)10-14(15)18/h9-10H,3-8,11H2,1-2H3
InChIKeyIYHDRHAOKBBXJW-UHFFFAOYSA-N
MW366.25 g/mol
LogP3.74
Rot. Bonds10

About 4-(bromomethyl)-N,N-bis(2-ethoxyethyl)-2,6-difluoroaniline

4-(bromomethyl)-N,N-bis(2-ethoxyethyl)-2,6-difluoroaniline (PubChem CID 107084914) has the molecular formula C15H22BrF2NO2 and a molecular weight of 366.25 g/mol. Its IUPAC name is 4-(bromomethyl)-N,N-bis(2-ethoxyethyl)-2,6-difluoroaniline.

Molecular Properties

Compound Name4-(bromomethyl)-N,N-bis(2-ethoxyethyl)-2,6-difluoroaniline
PubChem CID107084914
Molecular FormulaC15H22BrF2NO2
Molecular Weight366.25 g/mol
Exact Mass365.08
IUPAC Name4-(bromomethyl)-N,N-bis(2-ethoxyethyl)-2,6-difluoroaniline
SMILESCCOCCN(CCOCC)c1c(F)cc(CBr)cc1F
InChIInChI=1S/C15H22BrF2NO2/c1-3-20-7-5-19(6-8-21-4-2)15-13(17)9-12(11-16)10-14(15)18/h9-10H,3-8,11H2,1-2H3
InChIKeyIYHDRHAOKBBXJW-UHFFFAOYSA-N
XLogP3.74
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.25
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-(bromomethyl)-N-ethyl-2,6-difluoro-N-(2-methoxyethyl)aniline
CID 107081493
4-(aminomethyl)-N-(2-ethoxyethyl)-N-ethyl-2,6-difluoroaniline
CID 63691026
[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
4-(bromomethyl)-2-chloro-N-(2-ethoxyethyl)-N-ethylaniline
CID 107083639
4-[[bis(2-ethoxyethyl)amino]methyl]-2-fluoroaniline
CID 82965656
N,N-bis(2-ethoxyethyl)-6-fluoropyrimidin-4-amine
CID 82960073
4-(chloromethyl)-2,6-difluoro-N,N-dipropylaniline
CID 63539614
5-(bromomethyl)-1,3-difluoro-2-hexoxybenzene
CID 79887890
5-(bromomethyl)-2-decoxy-1,3-difluorobenzene
CID 79881356
4-(bromomethyl)-2,6-difluoro-N-pentyl-N-propan-2-ylaniline
CID 107081894

Frequently Asked Questions

What is the IUPAC name of 4-(bromomethyl)-N,N-bis(2-ethoxyethyl)-2,6-difluoroaniline?
The IUPAC name of 4-(bromomethyl)-N,N-bis(2-ethoxyethyl)-2,6-difluoroaniline (CID 107084914) is 4-(bromomethyl)-N,N-bis(2-ethoxyethyl)-2,6-difluoroaniline.
What is the SMILES notation for 4-(bromomethyl)-N,N-bis(2-ethoxyethyl)-2,6-difluoroaniline?
The canonical SMILES for 4-(bromomethyl)-N,N-bis(2-ethoxyethyl)-2,6-difluoroaniline is CCOCCN(CCOCC)c1c(F)cc(CBr)cc1F.
What is the InChIKey of 4-(bromomethyl)-N,N-bis(2-ethoxyethyl)-2,6-difluoroaniline?
The InChIKey is IYHDRHAOKBBXJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrF2NO2/c1-3-20-7-5-19(6-8-21-4-2)15-13(17)9-12(11-16)10-14(15)18/h9-10H,3-8,11H2,1-2H3.
What are the key properties of 4-(bromomethyl)-N,N-bis(2-ethoxyethyl)-2,6-difluoroaniline?
4-(bromomethyl)-N,N-bis(2-ethoxyethyl)-2,6-difluoroaniline has a molecular weight of 366.25 g/mol, XLogP of 3.74, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(bromomethyl)-N,N-bis(2-ethoxyethyl)-2,6-difluoroaniline is sourced from PubChem (CID 107084914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).