1-(3-bromo-2,6-difluorophenyl)-3-methoxy-N-methylpropan-2-amine

C11H14BrF2NO — CID 106267048

IUPAC1-(3-bromo-2,6-difluorophenyl)-3-methoxy-N-methylpropan-2-amine
SMILESCNC(COC)Cc1c(F)ccc(Br)c1F
InChIInChI=1S/C11H14BrF2NO/c1-15-7(6-16-2)5-8-10(13)4-3-9(12)11(8)14/h3-4,7,15H,5-6H2,1-2H3
InChIKeyJPXWXXZZKREXTH-UHFFFAOYSA-N
MW294.14 g/mol
LogP2.50
Rot. Bonds5

About 1-(3-bromo-2,6-difluorophenyl)-3-methoxy-N-methylpropan-2-amine

1-(3-bromo-2,6-difluorophenyl)-3-methoxy-N-methylpropan-2-amine (PubChem CID 106267048) has the molecular formula C11H14BrF2NO and a molecular weight of 294.14 g/mol. Its IUPAC name is 1-(3-bromo-2,6-difluorophenyl)-3-methoxy-N-methylpropan-2-amine.

Molecular Properties

Compound Name1-(3-bromo-2,6-difluorophenyl)-3-methoxy-N-methylpropan-2-amine
PubChem CID106267048
Molecular FormulaC11H14BrF2NO
Molecular Weight294.14 g/mol
Exact Mass293.02
IUPAC Name1-(3-bromo-2,6-difluorophenyl)-3-methoxy-N-methylpropan-2-amine
SMILESCNC(COC)Cc1c(F)ccc(Br)c1F
InChIInChI=1S/C11H14BrF2NO/c1-15-7(6-16-2)5-8-10(13)4-3-9(12)11(8)14/h3-4,7,15H,5-6H2,1-2H3
InChIKeyJPXWXXZZKREXTH-UHFFFAOYSA-N
XLogP2.50
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 ≤ 52.50
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-(3-bromo-2,6-difluorophenyl)-4-(2,2-difluoroethoxy)-N-methylbutan-2-amine
CID 106268855
1-(3-bromo-2,6-difluorophenyl)-5-ethoxy-N-methylpentan-2-amine
CID 106273617
1-(3-bromo-2,6-difluorophenyl)-N-methylhexan-2-amine
CID 114166237
N-[(3-bromo-2,6-difluorophenyl)methyl]-1-methoxybutan-2-amine
CID 114165683
3-(3-bromo-2,6-difluorophenyl)-1,1-dimethoxy-N-methylpropan-2-amine
CID 106268006
[1-(3-bromo-2,6-difluorophenyl)-3-propoxypropan-2-yl]hydrazine
CID 106270835
1-(3-bromo-2,6-difluorophenyl)-5-methoxy-4-methylpentan-2-ol
CID 106274511
1-(3-bromo-2,6-difluorophenyl)-3-propoxy-N-propylpropan-2-amine
CID 106267109
1-(3-bromo-2,6-difluorophenyl)-3-(cyclohexen-1-yl)-N-methylpropan-2-amine
CID 106268466
1-(3-bromo-2,6-difluorophenyl)-N-methyl-3-(thian-4-yl)propan-2-amine
CID 106274149
1-bromo-2,4-difluoro-3-(1-methoxypropan-2-yloxymethyl)benzene
CID 106269997
1-(3-bromo-2,6-difluorophenyl)-3-(2-methoxyethylamino)propan-2-ol
CID 106273651

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-2,6-difluorophenyl)-3-methoxy-N-methylpropan-2-amine?
The IUPAC name of 1-(3-bromo-2,6-difluorophenyl)-3-methoxy-N-methylpropan-2-amine (CID 106267048) is 1-(3-bromo-2,6-difluorophenyl)-3-methoxy-N-methylpropan-2-amine.
What is the SMILES notation for 1-(3-bromo-2,6-difluorophenyl)-3-methoxy-N-methylpropan-2-amine?
The canonical SMILES for 1-(3-bromo-2,6-difluorophenyl)-3-methoxy-N-methylpropan-2-amine is CNC(COC)Cc1c(F)ccc(Br)c1F.
What is the InChIKey of 1-(3-bromo-2,6-difluorophenyl)-3-methoxy-N-methylpropan-2-amine?
The InChIKey is JPXWXXZZKREXTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrF2NO/c1-15-7(6-16-2)5-8-10(13)4-3-9(12)11(8)14/h3-4,7,15H,5-6H2,1-2H3.
What are the key properties of 1-(3-bromo-2,6-difluorophenyl)-3-methoxy-N-methylpropan-2-amine?
1-(3-bromo-2,6-difluorophenyl)-3-methoxy-N-methylpropan-2-amine has a molecular weight of 294.14 g/mol, XLogP of 2.50, 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)-3-methoxy-N-methylpropan-2-amine is sourced from PubChem (CID 106267048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).