2-(4-bromo-2-fluorophenyl)-1-(ethylamino)propan-2-ol

C11H15BrFNO — CID 82973789

IUPAC2-(4-bromo-2-fluorophenyl)-1-(ethylamino)propan-2-ol
SMILESCCNCC(C)(O)c1ccc(Br)cc1F
InChIInChI=1S/C11H15BrFNO/c1-3-14-7-11(2,15)9-5-4-8(12)6-10(9)13/h4-6,14-15H,3,7H2,1-2H3
InChIKeyKLHAUKLOJSSYTF-UHFFFAOYSA-N
MW276.15 g/mol
LogP2.41
Rot. Bonds4

About 2-(4-bromo-2-fluorophenyl)-1-(ethylamino)propan-2-ol

2-(4-bromo-2-fluorophenyl)-1-(ethylamino)propan-2-ol (PubChem CID 82973789) has the molecular formula C11H15BrFNO and a molecular weight of 276.15 g/mol. Its IUPAC name is 2-(4-bromo-2-fluorophenyl)-1-(ethylamino)propan-2-ol.

Molecular Properties

Compound Name2-(4-bromo-2-fluorophenyl)-1-(ethylamino)propan-2-ol
PubChem CID82973789
Molecular FormulaC11H15BrFNO
Molecular Weight276.15 g/mol
Exact Mass275.03
IUPAC Name2-(4-bromo-2-fluorophenyl)-1-(ethylamino)propan-2-ol
SMILESCCNCC(C)(O)c1ccc(Br)cc1F
InChIInChI=1S/C11H15BrFNO/c1-3-14-7-11(2,15)9-5-4-8(12)6-10(9)13/h4-6,14-15H,3,7H2,1-2H3
InChIKeyKLHAUKLOJSSYTF-UHFFFAOYSA-N
XLogP2.41
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.15
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-bromo-2-fluorophenyl)-1-(propan-2-ylamino)propan-2-ol
CID 82973890
1-(4-bromo-2-fluorophenyl)-3-(ethylamino)-2-methylpropan-2-ol
CID 66040311
1-(5-bromo-2-fluorophenyl)-3-(ethylamino)-2-methylpropan-2-ol
CID 66036998
4-(4-bromo-2-fluorophenyl)-4-hydroxypentanoic acid
CID 82972821
2-(3-bromophenyl)-1-(ethylamino)propan-2-ol
CID 62773970
2-(4-bromo-2-fluorophenyl)-2-(ethylamino)propanenitrile
CID 82964522
2-(2-bromophenyl)-1-(ethylamino)propan-2-ol
CID 62773972
2-(2-chloro-5-fluorophenyl)-1-(ethylamino)propan-2-ol
CID 105396212
1-[[2-(4-bromo-2-chlorophenyl)-2-hydroxypropyl]amino]-2-methylpropan-2-ol
CID 138016345
2-(3-bromo-2,6-difluorophenyl)-1-(ethylamino)propan-2-ol
CID 106943818
N-[(4-bromo-2-fluorophenyl)methyl]ethanamine;ethane
CID 143672674
1-(ethylamino)-2-(2,4,5-trimethylphenyl)propan-2-ol
CID 66039376

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-fluorophenyl)-1-(ethylamino)propan-2-ol?
The IUPAC name of 2-(4-bromo-2-fluorophenyl)-1-(ethylamino)propan-2-ol (CID 82973789) is 2-(4-bromo-2-fluorophenyl)-1-(ethylamino)propan-2-ol.
What is the SMILES notation for 2-(4-bromo-2-fluorophenyl)-1-(ethylamino)propan-2-ol?
The canonical SMILES for 2-(4-bromo-2-fluorophenyl)-1-(ethylamino)propan-2-ol is CCNCC(C)(O)c1ccc(Br)cc1F.
What is the InChIKey of 2-(4-bromo-2-fluorophenyl)-1-(ethylamino)propan-2-ol?
The InChIKey is KLHAUKLOJSSYTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrFNO/c1-3-14-7-11(2,15)9-5-4-8(12)6-10(9)13/h4-6,14-15H,3,7H2,1-2H3.
What are the key properties of 2-(4-bromo-2-fluorophenyl)-1-(ethylamino)propan-2-ol?
2-(4-bromo-2-fluorophenyl)-1-(ethylamino)propan-2-ol has a molecular weight of 276.15 g/mol, XLogP of 2.41, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-fluorophenyl)-1-(ethylamino)propan-2-ol is sourced from PubChem (CID 82973789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).