2-(2-amino-6-bromo-3-methanimidoyl-5-methoxyphenyl)ethanol

C10H13BrN2O2 — CID 166649762

IUPAC2-(2-amino-6-bromo-3-methanimidoyl-5-methoxyphenyl)ethanol
SMILES[H]/N=C/c1cc(OC)c(Br)c(CCO)c1N
InChIInChI=1S/C10H13BrN2O2/c1-15-8-4-6(5-12)10(13)7(2-3-14)9(8)11/h4-5,12,14H,2-3,13H2,1H3/b12-5+
InChIKeyAHCXMYSHWZOMQR-LFYBBSHMSA-N
MW273.13 g/mol
LogP1.57
Rot. Bonds4

About 2-(2-amino-6-bromo-3-methanimidoyl-5-methoxyphenyl)ethanol

2-(2-amino-6-bromo-3-methanimidoyl-5-methoxyphenyl)ethanol (PubChem CID 166649762) has the molecular formula C10H13BrN2O2 and a molecular weight of 273.13 g/mol. Its IUPAC name is 2-(2-amino-6-bromo-3-methanimidoyl-5-methoxyphenyl)ethanol.

Molecular Properties

Compound Name2-(2-amino-6-bromo-3-methanimidoyl-5-methoxyphenyl)ethanol
PubChem CID166649762
Molecular FormulaC10H13BrN2O2
Molecular Weight273.13 g/mol
Exact Mass272.02
IUPAC Name2-(2-amino-6-bromo-3-methanimidoyl-5-methoxyphenyl)ethanol
SMILES[H]/N=C/c1cc(OC)c(Br)c(CCO)c1N
InChIInChI=1S/C10H13BrN2O2/c1-15-8-4-6(5-12)10(13)7(2-3-14)9(8)11/h4-5,12,14H,2-3,13H2,1H3/b12-5+
InChIKeyAHCXMYSHWZOMQR-LFYBBSHMSA-N
XLogP1.57
TPSA79.33 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.13
LogP ≤ 51.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

2-bromo-6-methanimidoyl-4-methoxyaniline
CID 167075235
4-ethyl-2-methanimidoyl-6-methoxyaniline
CID 169265062
2-(3-bromo-2,6-difluoro-4-methoxyphenyl)ethanol
CID 117420943
2,4-dibromo-1,5-dimethoxy-3-prop-2-enylbenzene
CID 46910681
2-(2-bromo-6-methoxy-4-methylphenyl)ethanol
CID 11436497
2-amino-3-(2-hydroxyethyl)-4-methoxyphenol
CID 54447176
5-bromo-2-methanimidoyl-3-methoxyaniline
CID 130265419
2-amino-4-bromo-3-fluoro-5-methoxybenzaldehyde
CID 164904191
2-(3-bromo-2-fluoro-4,5-dimethoxyphenyl)ethanol
CID 117447344
2-(3-bromo-2-fluoro-6-methoxyphenyl)ethanol
CID 117375122
2-bromo-4-fluoro-3-(3-hydroxypropyl)-6-methoxyphenol
CID 117447283
3-bromo-2-(hydroxymethyl)-4-(3-hydroxypropyl)-6-methoxyphenol
CID 72942691

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-6-bromo-3-methanimidoyl-5-methoxyphenyl)ethanol?
The IUPAC name of 2-(2-amino-6-bromo-3-methanimidoyl-5-methoxyphenyl)ethanol (CID 166649762) is 2-(2-amino-6-bromo-3-methanimidoyl-5-methoxyphenyl)ethanol.
What is the SMILES notation for 2-(2-amino-6-bromo-3-methanimidoyl-5-methoxyphenyl)ethanol?
The canonical SMILES for 2-(2-amino-6-bromo-3-methanimidoyl-5-methoxyphenyl)ethanol is [H]/N=C/c1cc(OC)c(Br)c(CCO)c1N.
What is the InChIKey of 2-(2-amino-6-bromo-3-methanimidoyl-5-methoxyphenyl)ethanol?
The InChIKey is AHCXMYSHWZOMQR-LFYBBSHMSA-N. The full InChI is InChI=1S/C10H13BrN2O2/c1-15-8-4-6(5-12)10(13)7(2-3-14)9(8)11/h4-5,12,14H,2-3,13H2,1H3/b12-5+.
What are the key properties of 2-(2-amino-6-bromo-3-methanimidoyl-5-methoxyphenyl)ethanol?
2-(2-amino-6-bromo-3-methanimidoyl-5-methoxyphenyl)ethanol has a molecular weight of 273.13 g/mol, XLogP of 1.57, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-6-bromo-3-methanimidoyl-5-methoxyphenyl)ethanol is sourced from PubChem (CID 166649762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).