1-(4-bromo-2-fluorophenyl)-3-(ethylamino)-2-methylpropan-2-ol

C12H17BrFNO — CID 66040311

IUPAC1-(4-bromo-2-fluorophenyl)-3-(ethylamino)-2-methylpropan-2-ol
SMILESCCNCC(C)(O)Cc1ccc(Br)cc1F
InChIInChI=1S/C12H17BrFNO/c1-3-15-8-12(2,16)7-9-4-5-10(13)6-11(9)14/h4-6,15-16H,3,7-8H2,1-2H3
InChIKeyNBGMOUAHQQOIQD-UHFFFAOYSA-N
MW290.18 g/mol
LogP2.49
Rot. Bonds5

About 1-(4-bromo-2-fluorophenyl)-3-(ethylamino)-2-methylpropan-2-ol

1-(4-bromo-2-fluorophenyl)-3-(ethylamino)-2-methylpropan-2-ol (PubChem CID 66040311) has the molecular formula C12H17BrFNO and a molecular weight of 290.18 g/mol. Its IUPAC name is 1-(4-bromo-2-fluorophenyl)-3-(ethylamino)-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-(4-bromo-2-fluorophenyl)-3-(ethylamino)-2-methylpropan-2-ol
PubChem CID66040311
Molecular FormulaC12H17BrFNO
Molecular Weight290.18 g/mol
Exact Mass289.05
IUPAC Name1-(4-bromo-2-fluorophenyl)-3-(ethylamino)-2-methylpropan-2-ol
SMILESCCNCC(C)(O)Cc1ccc(Br)cc1F
InChIInChI=1S/C12H17BrFNO/c1-3-15-8-12(2,16)7-9-4-5-10(13)6-11(9)14/h4-6,15-16H,3,7-8H2,1-2H3
InChIKeyNBGMOUAHQQOIQD-UHFFFAOYSA-N
XLogP2.49
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.18
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-bromo-2-fluorophenyl)-3-(ethylamino)-2-methylpropan-2-ol
CID 66036998
N-[(4-bromo-2-fluorophenyl)methyl]ethanamine;ethane
CID 143672674
2-(4-bromo-2-fluorophenyl)-1-(ethylamino)propan-2-ol
CID 82973789
1-(2,4-dichlorophenyl)-3-(ethylamino)-2-methylpropan-2-ol
CID 66039611
1-(ethylamino)-3-(5-fluoro-2-methylphenyl)-2-methylpropan-2-ol
CID 105375921
1-(3-bromo-2,6-difluorophenyl)-3-(ethylamino)-2-methylpropan-2-ol
CID 106273667
3-(4-bromo-2-fluorophenyl)-2,2-dimethyl-N-propan-2-ylpropan-1-amine
CID 62726356
1-(ethylamino)-3-(4-fluorophenyl)-2-methylpropan-2-ol
CID 66038175
2-[(4-bromo-2-fluorophenyl)methyl]-2-methyl-N-(2-methylpropyl)pentan-1-amine
CID 63508741
3-(4-bromo-2-fluorophenyl)-2-fluoro-2-methylpropan-1-amine
CID 112565168
1-(4-chloro-2-fluorophenyl)-3-(2-methoxyethylamino)-2-methylpropan-2-ol
CID 114861733
5-(4-bromo-2-fluorophenyl)-N-ethyl-4-methylpent-3-en-1-amine
CID 79599622

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2-fluorophenyl)-3-(ethylamino)-2-methylpropan-2-ol?
The IUPAC name of 1-(4-bromo-2-fluorophenyl)-3-(ethylamino)-2-methylpropan-2-ol (CID 66040311) is 1-(4-bromo-2-fluorophenyl)-3-(ethylamino)-2-methylpropan-2-ol.
What is the SMILES notation for 1-(4-bromo-2-fluorophenyl)-3-(ethylamino)-2-methylpropan-2-ol?
The canonical SMILES for 1-(4-bromo-2-fluorophenyl)-3-(ethylamino)-2-methylpropan-2-ol is CCNCC(C)(O)Cc1ccc(Br)cc1F.
What is the InChIKey of 1-(4-bromo-2-fluorophenyl)-3-(ethylamino)-2-methylpropan-2-ol?
The InChIKey is NBGMOUAHQQOIQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrFNO/c1-3-15-8-12(2,16)7-9-4-5-10(13)6-11(9)14/h4-6,15-16H,3,7-8H2,1-2H3.
What are the key properties of 1-(4-bromo-2-fluorophenyl)-3-(ethylamino)-2-methylpropan-2-ol?
1-(4-bromo-2-fluorophenyl)-3-(ethylamino)-2-methylpropan-2-ol has a molecular weight of 290.18 g/mol, XLogP of 2.49, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2-fluorophenyl)-3-(ethylamino)-2-methylpropan-2-ol is sourced from PubChem (CID 66040311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).