4-(bromomethyl)-N-ethyl-2,6-difluoro-N-(2-methoxyethyl)aniline

C12H16BrF2NO — CID 107081493

IUPAC4-(bromomethyl)-N-ethyl-2,6-difluoro-N-(2-methoxyethyl)aniline
SMILESCCN(CCOC)c1c(F)cc(CBr)cc1F
InChIInChI=1S/C12H16BrF2NO/c1-3-16(4-5-17-2)12-10(14)6-9(8-13)7-11(12)15/h6-7H,3-5,8H2,1-2H3
InChIKeyRPUMQUMABMGQTD-UHFFFAOYSA-N
MW308.17 g/mol
LogP3.33
Rot. Bonds6

About 4-(bromomethyl)-N-ethyl-2,6-difluoro-N-(2-methoxyethyl)aniline

4-(bromomethyl)-N-ethyl-2,6-difluoro-N-(2-methoxyethyl)aniline (PubChem CID 107081493) has the molecular formula C12H16BrF2NO and a molecular weight of 308.17 g/mol. Its IUPAC name is 4-(bromomethyl)-N-ethyl-2,6-difluoro-N-(2-methoxyethyl)aniline.

Molecular Properties

Compound Name4-(bromomethyl)-N-ethyl-2,6-difluoro-N-(2-methoxyethyl)aniline
PubChem CID107081493
Molecular FormulaC12H16BrF2NO
Molecular Weight308.17 g/mol
Exact Mass307.04
IUPAC Name4-(bromomethyl)-N-ethyl-2,6-difluoro-N-(2-methoxyethyl)aniline
SMILESCCN(CCOC)c1c(F)cc(CBr)cc1F
InChIInChI=1S/C12H16BrF2NO/c1-3-16(4-5-17-2)12-10(14)6-9(8-13)7-11(12)15/h6-7H,3-5,8H2,1-2H3
InChIKeyRPUMQUMABMGQTD-UHFFFAOYSA-N
XLogP3.33
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.17
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(bromomethyl)-N,N-bis(2-ethoxyethyl)-2,6-difluoroaniline
CID 107084914
[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-(2-ethoxyethyl)-N-ethyl-2,6-difluoroaniline
CID 63698104
2-[N-ethyl-2,6-difluoro-4-[(2-methoxyethylamino)methyl]anilino]ethanol
CID 63059172
4-(chloromethyl)-N-ethyl-2-fluoro-N-(2-methoxyethyl)aniline
CID 61446258
4-(2-aminopropyl)-N-(2-ethoxyethyl)-N-ethyl-2,6-difluoroaniline
CID 63795204
4-(chloromethyl)-N-ethyl-2,6-difluoro-N-propylaniline
CID 63077412
2,6-difluoro-1-N-(2-methoxyethyl)-1-N-(3-methoxypropyl)benzene-1,4-diamine
CID 54985046
4-(bromomethyl)-2-fluoro-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)aniline
CID 107082042
4-N-ethyl-5-fluoro-4-N-(2-methoxyethyl)pyrimidine-2,4-diamine
CID 80809527
N-ethyl-5-fluoro-N-(2-methoxyethyl)pyrimidin-4-amine
CID 143431201

Frequently Asked Questions

What is the IUPAC name of 4-(bromomethyl)-N-ethyl-2,6-difluoro-N-(2-methoxyethyl)aniline?
The IUPAC name of 4-(bromomethyl)-N-ethyl-2,6-difluoro-N-(2-methoxyethyl)aniline (CID 107081493) is 4-(bromomethyl)-N-ethyl-2,6-difluoro-N-(2-methoxyethyl)aniline.
What is the SMILES notation for 4-(bromomethyl)-N-ethyl-2,6-difluoro-N-(2-methoxyethyl)aniline?
The canonical SMILES for 4-(bromomethyl)-N-ethyl-2,6-difluoro-N-(2-methoxyethyl)aniline is CCN(CCOC)c1c(F)cc(CBr)cc1F.
What is the InChIKey of 4-(bromomethyl)-N-ethyl-2,6-difluoro-N-(2-methoxyethyl)aniline?
The InChIKey is RPUMQUMABMGQTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrF2NO/c1-3-16(4-5-17-2)12-10(14)6-9(8-13)7-11(12)15/h6-7H,3-5,8H2,1-2H3.
What are the key properties of 4-(bromomethyl)-N-ethyl-2,6-difluoro-N-(2-methoxyethyl)aniline?
4-(bromomethyl)-N-ethyl-2,6-difluoro-N-(2-methoxyethyl)aniline has a molecular weight of 308.17 g/mol, XLogP of 3.33, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(bromomethyl)-N-ethyl-2,6-difluoro-N-(2-methoxyethyl)aniline is sourced from PubChem (CID 107081493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).