1-(3-bromo-2,6-difluorophenyl)-N-ethyl-2-methoxyethanamine

C11H14BrF2NO — CID 106942336

IUPAC1-(3-bromo-2,6-difluorophenyl)-N-ethyl-2-methoxyethanamine
SMILESCCNC(COC)c1c(F)ccc(Br)c1F
InChIInChI=1S/C11H14BrF2NO/c1-3-15-9(6-16-2)10-8(13)5-4-7(12)11(10)14/h4-5,9,15H,3,6H2,1-2H3
InChIKeyFEICSRSWPAPKPP-UHFFFAOYSA-N
MW294.14 g/mol
LogP3.02
Rot. Bonds5

About 1-(3-bromo-2,6-difluorophenyl)-N-ethyl-2-methoxyethanamine

1-(3-bromo-2,6-difluorophenyl)-N-ethyl-2-methoxyethanamine (PubChem CID 106942336) has the molecular formula C11H14BrF2NO and a molecular weight of 294.14 g/mol. Its IUPAC name is 1-(3-bromo-2,6-difluorophenyl)-N-ethyl-2-methoxyethanamine.

Molecular Properties

Compound Name1-(3-bromo-2,6-difluorophenyl)-N-ethyl-2-methoxyethanamine
PubChem CID106942336
Molecular FormulaC11H14BrF2NO
Molecular Weight294.14 g/mol
Exact Mass293.02
IUPAC Name1-(3-bromo-2,6-difluorophenyl)-N-ethyl-2-methoxyethanamine
SMILESCCNC(COC)c1c(F)ccc(Br)c1F
InChIInChI=1S/C11H14BrF2NO/c1-3-15-9(6-16-2)10-8(13)5-4-7(12)11(10)14/h4-5,9,15H,3,6H2,1-2H3
InChIKeyFEICSRSWPAPKPP-UHFFFAOYSA-N
XLogP3.02
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.14
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

1-(2-bromo-6-fluorophenyl)-N-ethyl-2-methoxyethanamine
CID 114887178
1-(3-bromo-2,6-difluorophenyl)-N-ethyl-2-(2-methylpropylsulfanyl)ethanamine
CID 106942556
1-(3-bromo-2,6-difluorophenyl)-N-ethyl-3,3,3-trifluoropropan-1-amine
CID 106942324
1-(3-bromo-2,6-difluorophenyl)-N-ethylheptan-1-amine
CID 106945022
1-(3-bromo-2,6-difluorophenyl)-N-ethyl-2-(oxolan-2-yl)ethanamine
CID 106942259
N-[(3-bromo-2,6-difluorophenyl)-(4-chlorophenyl)methyl]ethanamine
CID 106942191
N-[(3-bromo-2,6-difluorophenyl)-(4-iodophenyl)methyl]ethanamine
CID 106944919
1-(3-bromo-2,6-difluorophenyl)-N-propylpentan-1-amine
CID 106942793
[1-(3-bromo-2,6-difluorophenyl)-2-propan-2-yloxyethyl]hydrazine
CID 106945665
1-(3-bromo-2,6-difluorophenyl)-2-ethoxy-N-ethyl-3-methylbutan-1-amine
CID 106943041
N-[1-(3-bromo-2,6-difluorophenyl)-2-tert-butylsulfanylethyl]propan-1-amine
CID 106942553
N-[(3-bromo-2,6-difluorophenyl)-(2,5-dibromothiophen-3-yl)methyl]ethanamine
CID 107969508

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-2,6-difluorophenyl)-N-ethyl-2-methoxyethanamine?
The IUPAC name of 1-(3-bromo-2,6-difluorophenyl)-N-ethyl-2-methoxyethanamine (CID 106942336) is 1-(3-bromo-2,6-difluorophenyl)-N-ethyl-2-methoxyethanamine.
What is the SMILES notation for 1-(3-bromo-2,6-difluorophenyl)-N-ethyl-2-methoxyethanamine?
The canonical SMILES for 1-(3-bromo-2,6-difluorophenyl)-N-ethyl-2-methoxyethanamine is CCNC(COC)c1c(F)ccc(Br)c1F.
What is the InChIKey of 1-(3-bromo-2,6-difluorophenyl)-N-ethyl-2-methoxyethanamine?
The InChIKey is FEICSRSWPAPKPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrF2NO/c1-3-15-9(6-16-2)10-8(13)5-4-7(12)11(10)14/h4-5,9,15H,3,6H2,1-2H3.
What are the key properties of 1-(3-bromo-2,6-difluorophenyl)-N-ethyl-2-methoxyethanamine?
1-(3-bromo-2,6-difluorophenyl)-N-ethyl-2-methoxyethanamine has a molecular weight of 294.14 g/mol, XLogP of 3.02, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-2,6-difluorophenyl)-N-ethyl-2-methoxyethanamine is sourced from PubChem (CID 106942336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).