1-(3-bromo-2,6-difluorophenyl)-3-(ethylamino)-2-methylpropan-2-ol

C12H16BrF2NO — CID 106273667

IUPAC1-(3-bromo-2,6-difluorophenyl)-3-(ethylamino)-2-methylpropan-2-ol
SMILESCCNCC(C)(O)Cc1c(F)ccc(Br)c1F
InChIInChI=1S/C12H16BrF2NO/c1-3-16-7-12(2,17)6-8-10(14)5-4-9(13)11(8)15/h4-5,16-17H,3,6-7H2,1-2H3
InChIKeyGHYHAQVRADJCSB-UHFFFAOYSA-N
MW308.17 g/mol
LogP2.63
Rot. Bonds5

About 1-(3-bromo-2,6-difluorophenyl)-3-(ethylamino)-2-methylpropan-2-ol

1-(3-bromo-2,6-difluorophenyl)-3-(ethylamino)-2-methylpropan-2-ol (PubChem CID 106273667) has the molecular formula C12H16BrF2NO and a molecular weight of 308.17 g/mol. Its IUPAC name is 1-(3-bromo-2,6-difluorophenyl)-3-(ethylamino)-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-(3-bromo-2,6-difluorophenyl)-3-(ethylamino)-2-methylpropan-2-ol
PubChem CID106273667
Molecular FormulaC12H16BrF2NO
Molecular Weight308.17 g/mol
Exact Mass307.04
IUPAC Name1-(3-bromo-2,6-difluorophenyl)-3-(ethylamino)-2-methylpropan-2-ol
SMILESCCNCC(C)(O)Cc1c(F)ccc(Br)c1F
InChIInChI=1S/C12H16BrF2NO/c1-3-16-7-12(2,17)6-8-10(14)5-4-9(13)11(8)15/h4-5,16-17H,3,6-7H2,1-2H3
InChIKeyGHYHAQVRADJCSB-UHFFFAOYSA-N
XLogP2.63
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.17
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[(3-bromo-2,6-difluorophenyl)methyl]-N-ethyl-2-methylpentan-1-amine
CID 106271410
1-(3-bromo-2,6-difluorophenyl)-3-methoxy-2-methylpropan-2-ol
CID 106265143
2-(3-bromo-2,6-difluorophenyl)-1-(ethylamino)propan-2-ol
CID 106943818
3-[(3-bromo-2,6-difluorophenyl)methyl]pentan-3-ol
CID 106265112
1-(3-bromo-2,6-difluorophenyl)-2-methyl-4-(2-methylpropylamino)butan-2-ol
CID 106273662
1-(5-bromo-2-fluorophenyl)-3-(ethylamino)-2-methylpropan-2-ol
CID 66036998
1-(4-bromo-2-fluorophenyl)-3-(ethylamino)-2-methylpropan-2-ol
CID 66040311
1-(3-bromo-2,6-difluorophenyl)-3-cyclobutyl-2-methylpropan-2-ol
CID 106265631
3-(3-bromo-2,6-difluorophenyl)-N-tert-butyl-2,2-dimethylpropan-1-amine
CID 106271326
2-[(3-bromo-2,6-difluorophenyl)methyl]-N,2-dimethylpentan-1-amine
CID 114166681
1-(3-bromo-2,6-difluorophenyl)-2-(2-fluorophenyl)propan-2-ol
CID 106265089
1-(ethylamino)-3-(4-fluorophenyl)-2-methylpropan-2-ol
CID 66038175

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-2,6-difluorophenyl)-3-(ethylamino)-2-methylpropan-2-ol?
The IUPAC name of 1-(3-bromo-2,6-difluorophenyl)-3-(ethylamino)-2-methylpropan-2-ol (CID 106273667) is 1-(3-bromo-2,6-difluorophenyl)-3-(ethylamino)-2-methylpropan-2-ol.
What is the SMILES notation for 1-(3-bromo-2,6-difluorophenyl)-3-(ethylamino)-2-methylpropan-2-ol?
The canonical SMILES for 1-(3-bromo-2,6-difluorophenyl)-3-(ethylamino)-2-methylpropan-2-ol is CCNCC(C)(O)Cc1c(F)ccc(Br)c1F.
What is the InChIKey of 1-(3-bromo-2,6-difluorophenyl)-3-(ethylamino)-2-methylpropan-2-ol?
The InChIKey is GHYHAQVRADJCSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrF2NO/c1-3-16-7-12(2,17)6-8-10(14)5-4-9(13)11(8)15/h4-5,16-17H,3,6-7H2,1-2H3.
What are the key properties of 1-(3-bromo-2,6-difluorophenyl)-3-(ethylamino)-2-methylpropan-2-ol?
1-(3-bromo-2,6-difluorophenyl)-3-(ethylamino)-2-methylpropan-2-ol has a molecular weight of 308.17 g/mol, XLogP of 2.63, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-2,6-difluorophenyl)-3-(ethylamino)-2-methylpropan-2-ol is sourced from PubChem (CID 106273667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).