1-(4-bromo-2,6-difluorophenyl)-N-ethyl-2-propan-2-yloxyethanamine

C13H18BrF2NO — CID 105013295

IUPAC1-(4-bromo-2,6-difluorophenyl)-N-ethyl-2-propan-2-yloxyethanamine
SMILESCCNC(COC(C)C)c1c(F)cc(Br)cc1F
InChIInChI=1S/C13H18BrF2NO/c1-4-17-12(7-18-8(2)3)13-10(15)5-9(14)6-11(13)16/h5-6,8,12,17H,4,7H2,1-3H3
InChIKeyXFGOHJXUEIZFRK-UHFFFAOYSA-N
MW322.19 g/mol
LogP3.80
Rot. Bonds6

About 1-(4-bromo-2,6-difluorophenyl)-N-ethyl-2-propan-2-yloxyethanamine

1-(4-bromo-2,6-difluorophenyl)-N-ethyl-2-propan-2-yloxyethanamine (PubChem CID 105013295) has the molecular formula C13H18BrF2NO and a molecular weight of 322.19 g/mol. Its IUPAC name is 1-(4-bromo-2,6-difluorophenyl)-N-ethyl-2-propan-2-yloxyethanamine.

Molecular Properties

Compound Name1-(4-bromo-2,6-difluorophenyl)-N-ethyl-2-propan-2-yloxyethanamine
PubChem CID105013295
Molecular FormulaC13H18BrF2NO
Molecular Weight322.19 g/mol
Exact Mass321.05
IUPAC Name1-(4-bromo-2,6-difluorophenyl)-N-ethyl-2-propan-2-yloxyethanamine
SMILESCCNC(COC(C)C)c1c(F)cc(Br)cc1F
InChIInChI=1S/C13H18BrF2NO/c1-4-17-12(7-18-8(2)3)13-10(15)5-9(14)6-11(13)16/h5-6,8,12,17H,4,7H2,1-3H3
InChIKeyXFGOHJXUEIZFRK-UHFFFAOYSA-N
XLogP3.80
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.19
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-2-propan-2-yloxy-1-(2,4,6-trifluorophenyl)ethanamine
CID 105013108
1-(3,4-difluorophenyl)-N-ethyl-2-propan-2-yloxyethanamine
CID 79574237
1-(4-bromo-2,6-difluorophenyl)-N-ethyl-4,4-dimethylpentan-1-amine
CID 115850027
1-(2,5-difluorophenyl)-N-ethyl-2-propan-2-yloxyethanamine
CID 79575096
[2-propan-2-yloxy-1-(2,4,6-trifluorophenyl)ethyl]hydrazine
CID 105323768
1-(3-chloro-4-fluorophenyl)-N-ethyl-2-propan-2-yloxyethanamine
CID 79575549
1-(4-bromo-3-methylphenyl)-N-ethyl-2-propan-2-yloxyethanamine
CID 105013094
1-(2,3-difluorophenyl)-N-ethyl-2-propan-2-yloxyethanamine
CID 105013124
N-ethyl-1-(3-fluorophenyl)-2-propan-2-yloxyethanamine
CID 79573891
1-(4-bromo-2,6-difluorophenyl)-N-ethylprop-2-en-1-amine
CID 105000917
1-(3-bromo-4-chlorophenyl)-N-ethyl-2-propan-2-yloxyethanamine
CID 113337160
1-(4-bromo-2,6-difluorophenyl)-N-ethyl-2-(2-methyl-1,2,4-triazol-3-yl)ethanamine
CID 104997809

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2,6-difluorophenyl)-N-ethyl-2-propan-2-yloxyethanamine?
The IUPAC name of 1-(4-bromo-2,6-difluorophenyl)-N-ethyl-2-propan-2-yloxyethanamine (CID 105013295) is 1-(4-bromo-2,6-difluorophenyl)-N-ethyl-2-propan-2-yloxyethanamine.
What is the SMILES notation for 1-(4-bromo-2,6-difluorophenyl)-N-ethyl-2-propan-2-yloxyethanamine?
The canonical SMILES for 1-(4-bromo-2,6-difluorophenyl)-N-ethyl-2-propan-2-yloxyethanamine is CCNC(COC(C)C)c1c(F)cc(Br)cc1F.
What is the InChIKey of 1-(4-bromo-2,6-difluorophenyl)-N-ethyl-2-propan-2-yloxyethanamine?
The InChIKey is XFGOHJXUEIZFRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrF2NO/c1-4-17-12(7-18-8(2)3)13-10(15)5-9(14)6-11(13)16/h5-6,8,12,17H,4,7H2,1-3H3.
What are the key properties of 1-(4-bromo-2,6-difluorophenyl)-N-ethyl-2-propan-2-yloxyethanamine?
1-(4-bromo-2,6-difluorophenyl)-N-ethyl-2-propan-2-yloxyethanamine has a molecular weight of 322.19 g/mol, XLogP of 3.80, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2,6-difluorophenyl)-N-ethyl-2-propan-2-yloxyethanamine is sourced from PubChem (CID 105013295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).