1-(3-bromo-2,6-difluorophenyl)-2-ethoxypropan-1-amine

C11H14BrF2NO — CID 106942519

IUPAC1-(3-bromo-2,6-difluorophenyl)-2-ethoxypropan-1-amine
SMILESCCOC(C)C(N)c1c(F)ccc(Br)c1F
InChIInChI=1S/C11H14BrF2NO/c1-3-16-6(2)11(15)9-8(13)5-4-7(12)10(9)14/h4-6,11H,3,15H2,1-2H3
InChIKeyXMWREYKGLBAVQQ-UHFFFAOYSA-N
MW294.14 g/mol
LogP3.15
Rot. Bonds4

About 1-(3-bromo-2,6-difluorophenyl)-2-ethoxypropan-1-amine

1-(3-bromo-2,6-difluorophenyl)-2-ethoxypropan-1-amine (PubChem CID 106942519) has the molecular formula C11H14BrF2NO and a molecular weight of 294.14 g/mol. Its IUPAC name is 1-(3-bromo-2,6-difluorophenyl)-2-ethoxypropan-1-amine.

Molecular Properties

Compound Name1-(3-bromo-2,6-difluorophenyl)-2-ethoxypropan-1-amine
PubChem CID106942519
Molecular FormulaC11H14BrF2NO
Molecular Weight294.14 g/mol
Exact Mass293.02
IUPAC Name1-(3-bromo-2,6-difluorophenyl)-2-ethoxypropan-1-amine
SMILESCCOC(C)C(N)c1c(F)ccc(Br)c1F
InChIInChI=1S/C11H14BrF2NO/c1-3-16-6(2)11(15)9-8(13)5-4-7(12)10(9)14/h4-6,11H,3,15H2,1-2H3
InChIKeyXMWREYKGLBAVQQ-UHFFFAOYSA-N
XLogP3.15
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.14
LogP ≤ 53.15
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)-2,2-diethoxyethanamine
CID 106942803
1-(2,6-difluoro-3-methylphenyl)-2-ethoxypropan-1-amine
CID 82823295
1-(3-bromo-2,6-difluorophenyl)-2-ethoxy-2-phenylethanamine
CID 106943100
(1S)-1-amino-1-(3-bromo-2,6-difluorophenyl)propan-2-ol
CID 130612106
(1R,2S)-1-amino-1-(3-bromo-2,6-difluorophenyl)hexan-2-ol
CID 171262488
(1S)-1-(3-bromo-2,6-difluorophenyl)-2,2-difluoroethanamine;hydrochloride
CID 171248107
(1R)-1-(3-bromo-2,6-difluorophenyl)-4-methylpentan-1-amine
CID 171205160
1-(5-bromo-2-fluorophenyl)-2-ethoxypropan-1-amine
CID 79743200
(1S,2R)-1-amino-1-(3-bromo-2,6-difluorophenyl)hexan-2-ol;hydrochloride
CID 171268162
(1S)-1-(3-bromo-2,6-difluorophenyl)propan-1-amine;hydrochloride
CID 171224706
(1S,2R)-1-amino-1-(3-bromo-2,6-difluorophenyl)-3-methylbutan-2-ol;hydrochloride
CID 171268152
1-(3-bromo-2,6-difluorophenyl)pentan-1-amine
CID 103947002

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-2,6-difluorophenyl)-2-ethoxypropan-1-amine?
The IUPAC name of 1-(3-bromo-2,6-difluorophenyl)-2-ethoxypropan-1-amine (CID 106942519) is 1-(3-bromo-2,6-difluorophenyl)-2-ethoxypropan-1-amine.
What is the SMILES notation for 1-(3-bromo-2,6-difluorophenyl)-2-ethoxypropan-1-amine?
The canonical SMILES for 1-(3-bromo-2,6-difluorophenyl)-2-ethoxypropan-1-amine is CCOC(C)C(N)c1c(F)ccc(Br)c1F.
What is the InChIKey of 1-(3-bromo-2,6-difluorophenyl)-2-ethoxypropan-1-amine?
The InChIKey is XMWREYKGLBAVQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrF2NO/c1-3-16-6(2)11(15)9-8(13)5-4-7(12)10(9)14/h4-6,11H,3,15H2,1-2H3.
What are the key properties of 1-(3-bromo-2,6-difluorophenyl)-2-ethoxypropan-1-amine?
1-(3-bromo-2,6-difluorophenyl)-2-ethoxypropan-1-amine has a molecular weight of 294.14 g/mol, XLogP of 3.15, 4 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)-2-ethoxypropan-1-amine is sourced from PubChem (CID 106942519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).