N-[(3-bromo-2,6-difluorophenyl)methyl]-2-methoxy-N-methylethanamine

C11H14BrF2NO — CID 106268713

IUPACN-[(3-bromo-2,6-difluorophenyl)methyl]-2-methoxy-N-methylethanamine
SMILESCOCCN(C)Cc1c(F)ccc(Br)c1F
InChIInChI=1S/C11H14BrF2NO/c1-15(5-6-16-2)7-8-10(13)4-3-9(12)11(8)14/h3-4H,5-7H2,1-2H3
InChIKeyPFXJJCRNZYKTRB-UHFFFAOYSA-N
MW294.14 g/mol
LogP2.81
Rot. Bonds5

About N-[(3-bromo-2,6-difluorophenyl)methyl]-2-methoxy-N-methylethanamine

N-[(3-bromo-2,6-difluorophenyl)methyl]-2-methoxy-N-methylethanamine (PubChem CID 106268713) has the molecular formula C11H14BrF2NO and a molecular weight of 294.14 g/mol. Its IUPAC name is N-[(3-bromo-2,6-difluorophenyl)methyl]-2-methoxy-N-methylethanamine.

Molecular Properties

Compound NameN-[(3-bromo-2,6-difluorophenyl)methyl]-2-methoxy-N-methylethanamine
PubChem CID106268713
Molecular FormulaC11H14BrF2NO
Molecular Weight294.14 g/mol
Exact Mass293.02
IUPAC NameN-[(3-bromo-2,6-difluorophenyl)methyl]-2-methoxy-N-methylethanamine
SMILESCOCCN(C)Cc1c(F)ccc(Br)c1F
InChIInChI=1S/C11H14BrF2NO/c1-15(5-6-16-2)7-8-10(13)4-3-9(12)11(8)14/h3-4H,5-7H2,1-2H3
InChIKeyPFXJJCRNZYKTRB-UHFFFAOYSA-N
XLogP2.81
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.14
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(3-bromo-2,6-difluorophenyl)methyl]-N-ethyl-2-methoxyethanamine
CID 106268683
N-[(3-bromo-2,6-difluorophenyl)methyl]-N-(2-chloroethyl)-2-methoxyethanamine
CID 114166792
2-(3-bromo-2,6-difluorophenyl)-N-(2-methoxyethyl)ethanamine
CID 106943435
1-[[(3-bromo-2,6-difluorophenyl)methyl-methylamino]methyl]-N,N-dimethylcyclobutan-1-amine
CID 106269248
N-[(3-bromo-2,6-difluorophenyl)methyl]-N-methylaniline
CID 106268356
2-[(3-bromo-2,6-difluorophenyl)methyl-methylamino]-N-cyclopropylacetamide
CID 106268832
N'-[(3-bromo-2,6-difluorophenyl)methyl]-N,N,N'-triethylpropane-1,3-diamine
CID 106269278
1-(3-bromo-2,6-difluorophenyl)-3-(2-methoxyethylamino)propan-2-one
CID 106272689
N-[(3-bromo-2,6-difluorophenyl)methyl]-2-(2-chloroethoxy)-N-ethylethanamine
CID 114263779
2-methoxy-N-[[4-[[2-methoxyethyl(methyl)amino]methyl]phenyl]methyl]-N-methylethanamine
CID 171480765
2-[(3-bromo-2,6-difluorophenyl)methyl-(carboxymethyl)amino]acetic acid
CID 114165830
2-[(3-bromo-2,6-difluorophenyl)methyl-propylamino]acetic acid
CID 106264703

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromo-2,6-difluorophenyl)methyl]-2-methoxy-N-methylethanamine?
The IUPAC name of N-[(3-bromo-2,6-difluorophenyl)methyl]-2-methoxy-N-methylethanamine (CID 106268713) is N-[(3-bromo-2,6-difluorophenyl)methyl]-2-methoxy-N-methylethanamine.
What is the SMILES notation for N-[(3-bromo-2,6-difluorophenyl)methyl]-2-methoxy-N-methylethanamine?
The canonical SMILES for N-[(3-bromo-2,6-difluorophenyl)methyl]-2-methoxy-N-methylethanamine is COCCN(C)Cc1c(F)ccc(Br)c1F.
What is the InChIKey of N-[(3-bromo-2,6-difluorophenyl)methyl]-2-methoxy-N-methylethanamine?
The InChIKey is PFXJJCRNZYKTRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrF2NO/c1-15(5-6-16-2)7-8-10(13)4-3-9(12)11(8)14/h3-4H,5-7H2,1-2H3.
What are the key properties of N-[(3-bromo-2,6-difluorophenyl)methyl]-2-methoxy-N-methylethanamine?
N-[(3-bromo-2,6-difluorophenyl)methyl]-2-methoxy-N-methylethanamine has a molecular weight of 294.14 g/mol, XLogP of 2.81, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromo-2,6-difluorophenyl)methyl]-2-methoxy-N-methylethanamine is sourced from PubChem (CID 106268713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).