1-(4-bromo-2-fluorophenyl)-1-(2-hydroxyethylamino)ethanol

C10H13BrFNO2 — CID 172708941

IUPAC1-(4-bromo-2-fluorophenyl)-1-(2-hydroxyethylamino)ethanol
SMILESCC(O)(NCCO)c1ccc(Br)cc1F
InChIInChI=1S/C10H13BrFNO2/c1-10(15,13-4-5-14)8-3-2-7(11)6-9(8)12/h2-3,6,13-15H,4-5H2,1H3
InChIKeyDZDBVUHPNHCPQR-UHFFFAOYSA-N
MW278.12 g/mol
LogP1.34
Rot. Bonds4

About 1-(4-bromo-2-fluorophenyl)-1-(2-hydroxyethylamino)ethanol

1-(4-bromo-2-fluorophenyl)-1-(2-hydroxyethylamino)ethanol (PubChem CID 172708941) has the molecular formula C10H13BrFNO2 and a molecular weight of 278.12 g/mol. Its IUPAC name is 1-(4-bromo-2-fluorophenyl)-1-(2-hydroxyethylamino)ethanol.

Molecular Properties

Compound Name1-(4-bromo-2-fluorophenyl)-1-(2-hydroxyethylamino)ethanol
PubChem CID172708941
Molecular FormulaC10H13BrFNO2
Molecular Weight278.12 g/mol
Exact Mass277.01
IUPAC Name1-(4-bromo-2-fluorophenyl)-1-(2-hydroxyethylamino)ethanol
SMILESCC(O)(NCCO)c1ccc(Br)cc1F
InChIInChI=1S/C10H13BrFNO2/c1-10(15,13-4-5-14)8-3-2-7(11)6-9(8)12/h2-3,6,13-15H,4-5H2,1H3
InChIKeyDZDBVUHPNHCPQR-UHFFFAOYSA-N
XLogP1.34
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.12
LogP ≤ 51.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

Benzene, 1-bromo-4-(1-hydroxy-2-isopropylamino)ethyl-
CID 62773144
3-Bromo-alpha-(((1-methylethyl)amino)methyl)benzenemethanol
CID 60903220
2-[(3-Bromobenzyl)amino]-1-phenylethanol hydrochloride
CID 2980711
2-Amino-1-(4-bromophenyl)propan-1-ol
CID 19422955
1-(3-Bromophenyl)-2-(methylamino)ethan-1-ol
CID 21943451
2-Benzylamino-1-(4-bromo-phenyl)-ethanol
CID 58097889
1-(4-Bromophenyl)-2-methylaminoethanol
CID 21943433
2-(4-Bromophenyl)-2-(methylamino)ethan-1-ol
CID 54775997
2-(3-Bromophenyl)-2-(methylamino)ethan-1-ol
CID 61056326
1-(4-Bromophenyl)-2-(4-phenylbutylamino)ethanol
CID 145990597
3-(Benzylamino)-1-(2-bromo-4-fluorophenyl)propan-1-ol
CID 9819202
1-(4-Bromophenyl)-2-[(2-hydroxyethyl)amino]ethan-1-ol
CID 82312916

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2-fluorophenyl)-1-(2-hydroxyethylamino)ethanol?
The IUPAC name of 1-(4-bromo-2-fluorophenyl)-1-(2-hydroxyethylamino)ethanol (CID 172708941) is 1-(4-bromo-2-fluorophenyl)-1-(2-hydroxyethylamino)ethanol.
What is the SMILES notation for 1-(4-bromo-2-fluorophenyl)-1-(2-hydroxyethylamino)ethanol?
The canonical SMILES for 1-(4-bromo-2-fluorophenyl)-1-(2-hydroxyethylamino)ethanol is CC(O)(NCCO)c1ccc(Br)cc1F.
What is the InChIKey of 1-(4-bromo-2-fluorophenyl)-1-(2-hydroxyethylamino)ethanol?
The InChIKey is DZDBVUHPNHCPQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrFNO2/c1-10(15,13-4-5-14)8-3-2-7(11)6-9(8)12/h2-3,6,13-15H,4-5H2,1H3.
What are the key properties of 1-(4-bromo-2-fluorophenyl)-1-(2-hydroxyethylamino)ethanol?
1-(4-bromo-2-fluorophenyl)-1-(2-hydroxyethylamino)ethanol has a molecular weight of 278.12 g/mol, XLogP of 1.34, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2-fluorophenyl)-1-(2-hydroxyethylamino)ethanol is sourced from PubChem (CID 172708941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).