1-(2-amino-5-bromophenyl)ethanol

C8H10BrNO — CID 68865052

IUPAC1-(2-amino-5-bromophenyl)ethanol
SMILESCC(O)c1cc(Br)ccc1N
InChIInChI=1S/C8H10BrNO/c1-5(11)7-4-6(9)2-3-8(7)10/h2-5,11H,10H2,1H3
InChIKeyRTIGSRQGUBHYLG-UHFFFAOYSA-N
MW216.08 g/mol
LogP2.08
Rot. Bonds1

About 1-(2-amino-5-bromophenyl)ethanol

1-(2-amino-5-bromophenyl)ethanol (PubChem CID 68865052) has the molecular formula C8H10BrNO and a molecular weight of 216.08 g/mol. Its IUPAC name is 1-(2-amino-5-bromophenyl)ethanol.

Molecular Properties

Compound Name1-(2-amino-5-bromophenyl)ethanol
PubChem CID68865052
Molecular FormulaC8H10BrNO
Molecular Weight216.08 g/mol
Exact Mass214.99
IUPAC Name1-(2-amino-5-bromophenyl)ethanol
SMILESCC(O)c1cc(Br)ccc1N
InChIInChI=1S/C8H10BrNO/c1-5(11)7-4-6(9)2-3-8(7)10/h2-5,11H,10H2,1H3
InChIKeyRTIGSRQGUBHYLG-UHFFFAOYSA-N
XLogP2.08
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.08
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(2-amino-5-bromophenyl)-2,2-dimethylpropan-1-ol
CID 82703334
5-bromo-2-[(1S)-1-hydroxyethyl]phenol
CID 102949153
1-[2-(2-amino-5-bromophenoxy)phenyl]ethanol
CID 67246950
1-[5-bromo-2-(difluoromethyl)phenyl]ethanol
CID 84707354
1-(2-amino-5-bromophenyl)hexan-1-ol
CID 82703402
2-amino-5-bromophenol;2-methylpropane
CID 143907828
1-(2-amino-5-bromophenyl)undecan-1-ol
CID 82703415
1-(2-amino-5-bromophenyl)-4-methylpent-4-en-1-ol
CID 114474018
(1R)-1-amino-1-(2-amino-4-bromophenyl)propan-2-ol
CID 130943677
1-(2-amino-5-bromophenyl)-1-(2-aminophenyl)propan-2-one
CID 174809504
(1S)-1-(2-aminophenyl)ethanol
CID 12749796
4-bromo-2-(1-hydrazinyl-2,2-dimethylpropyl)aniline
CID 105263598

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-5-bromophenyl)ethanol?
The IUPAC name of 1-(2-amino-5-bromophenyl)ethanol (CID 68865052) is 1-(2-amino-5-bromophenyl)ethanol.
What is the SMILES notation for 1-(2-amino-5-bromophenyl)ethanol?
The canonical SMILES for 1-(2-amino-5-bromophenyl)ethanol is CC(O)c1cc(Br)ccc1N.
What is the InChIKey of 1-(2-amino-5-bromophenyl)ethanol?
The InChIKey is RTIGSRQGUBHYLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10BrNO/c1-5(11)7-4-6(9)2-3-8(7)10/h2-5,11H,10H2,1H3.
What are the key properties of 1-(2-amino-5-bromophenyl)ethanol?
1-(2-amino-5-bromophenyl)ethanol has a molecular weight of 216.08 g/mol, XLogP of 2.08, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-5-bromophenyl)ethanol is sourced from PubChem (CID 68865052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).