1-(2-aminophenyl)-2-(4-bromo-2-methylphenoxy)ethanol

C15H16BrNO2 — CID 63216911

IUPAC1-(2-aminophenyl)-2-(4-bromo-2-methylphenoxy)ethanol
SMILESCc1cc(Br)ccc1OCC(O)c1ccccc1N
InChIInChI=1S/C15H16BrNO2/c1-10-8-11(16)6-7-15(10)19-9-14(18)12-4-2-3-5-13(12)17/h2-8,14,18H,9,17H2,1H3
InChIKeyXZYKRNLDTYTPFG-UHFFFAOYSA-N
MW322.20 g/mol
LogP3.45
Rot. Bonds4

About 1-(2-aminophenyl)-2-(4-bromo-2-methylphenoxy)ethanol

1-(2-aminophenyl)-2-(4-bromo-2-methylphenoxy)ethanol (PubChem CID 63216911) has the molecular formula C15H16BrNO2 and a molecular weight of 322.20 g/mol. Its IUPAC name is 1-(2-aminophenyl)-2-(4-bromo-2-methylphenoxy)ethanol.

Molecular Properties

Compound Name1-(2-aminophenyl)-2-(4-bromo-2-methylphenoxy)ethanol
PubChem CID63216911
Molecular FormulaC15H16BrNO2
Molecular Weight322.20 g/mol
Exact Mass321.04
IUPAC Name1-(2-aminophenyl)-2-(4-bromo-2-methylphenoxy)ethanol
SMILESCc1cc(Br)ccc1OCC(O)c1ccccc1N
InChIInChI=1S/C15H16BrNO2/c1-10-8-11(16)6-7-15(10)19-9-14(18)12-4-2-3-5-13(12)17/h2-8,14,18H,9,17H2,1H3
InChIKeyXZYKRNLDTYTPFG-UHFFFAOYSA-N
XLogP3.45
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.20
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(4-bromo-2-methylphenoxy)ethoxy]aniline
CID 63216601
1-(2-aminophenyl)-2-(5-bromo-2-methoxyphenyl)ethanol
CID 64832581
4-bromo-2-methyl-1-(2-methylpropoxy)benzene
CID 63529292
2-(2-aminophenoxy)-1-(2,5-dimethoxy-4-methylphenyl)ethanol
CID 46307253
1-(4-bromo-2-methylphenoxy)-3-(methylamino)propan-2-ol
CID 63216610
1-(2-aminophenyl)-2-[(3-bromophenyl)methoxy]ethanol
CID 82828389
2-[2-[(1S)-1-aminoethyl]-4-bromophenoxy]-1-phenylethanol
CID 63367802
4-[2-(2-aminophenyl)-2-hydroxyethoxy]-3-fluorobenzonitrile
CID 107670198
4-bromo-1-(3-bromo-2-methylpropoxy)-2-methylbenzene
CID 64995954
N-(2-aminophenyl)-3-(4-bromo-2-methylphenoxy)propanamide
CID 63213428
1-(2-aminophenyl)-2-(4-bromophenyl)ethanol
CID 64832586
5-bromo-2-[(4-bromo-2-methylphenoxy)methyl]aniline
CID 114380845

Frequently Asked Questions

What is the IUPAC name of 1-(2-aminophenyl)-2-(4-bromo-2-methylphenoxy)ethanol?
The IUPAC name of 1-(2-aminophenyl)-2-(4-bromo-2-methylphenoxy)ethanol (CID 63216911) is 1-(2-aminophenyl)-2-(4-bromo-2-methylphenoxy)ethanol.
What is the SMILES notation for 1-(2-aminophenyl)-2-(4-bromo-2-methylphenoxy)ethanol?
The canonical SMILES for 1-(2-aminophenyl)-2-(4-bromo-2-methylphenoxy)ethanol is Cc1cc(Br)ccc1OCC(O)c1ccccc1N.
What is the InChIKey of 1-(2-aminophenyl)-2-(4-bromo-2-methylphenoxy)ethanol?
The InChIKey is XZYKRNLDTYTPFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrNO2/c1-10-8-11(16)6-7-15(10)19-9-14(18)12-4-2-3-5-13(12)17/h2-8,14,18H,9,17H2,1H3.
What are the key properties of 1-(2-aminophenyl)-2-(4-bromo-2-methylphenoxy)ethanol?
1-(2-aminophenyl)-2-(4-bromo-2-methylphenoxy)ethanol has a molecular weight of 322.20 g/mol, XLogP of 3.45, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminophenyl)-2-(4-bromo-2-methylphenoxy)ethanol is sourced from PubChem (CID 63216911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).