1-(5-bromo-2-fluorophenyl)-2-(ethylamino)ethanol

C10H13BrFNO — CID 62774880

IUPAC1-(5-bromo-2-fluorophenyl)-2-(ethylamino)ethanol
SMILESCCNCC(O)c1cc(Br)ccc1F
InChIInChI=1S/C10H13BrFNO/c1-2-13-6-10(14)8-5-7(11)3-4-9(8)12/h3-5,10,13-14H,2,6H2,1H3
InChIKeyORWXTNFCRXEIRI-UHFFFAOYSA-N
MW262.12 g/mol
LogP2.23
Rot. Bonds4

About 1-(5-bromo-2-fluorophenyl)-2-(ethylamino)ethanol

1-(5-bromo-2-fluorophenyl)-2-(ethylamino)ethanol (PubChem CID 62774880) has the molecular formula C10H13BrFNO and a molecular weight of 262.12 g/mol. Its IUPAC name is 1-(5-bromo-2-fluorophenyl)-2-(ethylamino)ethanol.

Molecular Properties

Compound Name1-(5-bromo-2-fluorophenyl)-2-(ethylamino)ethanol
PubChem CID62774880
Molecular FormulaC10H13BrFNO
Molecular Weight262.12 g/mol
Exact Mass261.02
IUPAC Name1-(5-bromo-2-fluorophenyl)-2-(ethylamino)ethanol
SMILESCCNCC(O)c1cc(Br)ccc1F
InChIInChI=1S/C10H13BrFNO/c1-2-13-6-10(14)8-5-7(11)3-4-9(8)12/h3-5,10,13-14H,2,6H2,1H3
InChIKeyORWXTNFCRXEIRI-UHFFFAOYSA-N
XLogP2.23
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.12
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-bromo-2-fluorophenyl)-2-chloroethanol
CID 83001576
1-(3-bromo-4-fluorophenyl)-2-(ethylamino)ethanol
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1-[1-(5-bromo-2-fluorophenyl)ethylamino]propan-2-ol
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CID 87630182
1-(5-bromo-2-fluorophenyl)-2-(5-ethylthiophen-2-yl)ethanol
CID 65147995
1-(5-bromo-2-fluorophenyl)-2-(4-propan-2-ylphenyl)ethanol
CID 65148286
2-(5-bromo-2-fluorophenyl)-N-methylpropan-1-amine
CID 82974107
2-[1-(4-bromophenyl)ethylamino]-1-(2,5-difluorophenyl)ethanol
CID 60979926
2-[1-(5-bromo-2-fluorophenyl)ethylamino]-1-phenylethanol
CID 81301682
N-[(5-bromo-2-fluorophenyl)-(2,5-difluorophenyl)methyl]ethanamine
CID 43490176

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-fluorophenyl)-2-(ethylamino)ethanol?
The IUPAC name of 1-(5-bromo-2-fluorophenyl)-2-(ethylamino)ethanol (CID 62774880) is 1-(5-bromo-2-fluorophenyl)-2-(ethylamino)ethanol.
What is the SMILES notation for 1-(5-bromo-2-fluorophenyl)-2-(ethylamino)ethanol?
The canonical SMILES for 1-(5-bromo-2-fluorophenyl)-2-(ethylamino)ethanol is CCNCC(O)c1cc(Br)ccc1F.
What is the InChIKey of 1-(5-bromo-2-fluorophenyl)-2-(ethylamino)ethanol?
The InChIKey is ORWXTNFCRXEIRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrFNO/c1-2-13-6-10(14)8-5-7(11)3-4-9(8)12/h3-5,10,13-14H,2,6H2,1H3.
What are the key properties of 1-(5-bromo-2-fluorophenyl)-2-(ethylamino)ethanol?
1-(5-bromo-2-fluorophenyl)-2-(ethylamino)ethanol has a molecular weight of 262.12 g/mol, XLogP of 2.23, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2-fluorophenyl)-2-(ethylamino)ethanol is sourced from PubChem (CID 62774880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).