(4-amino-3-bromo-5-methylphenyl)methanol

C8H10BrNO — CID 134128919

IUPAC(4-amino-3-bromo-5-methylphenyl)methanol
SMILESCc1cc(CO)cc(Br)c1N
InChIInChI=1S/C8H10BrNO/c1-5-2-6(4-11)3-7(9)8(5)10/h2-3,11H,4,10H2,1H3
InChIKeyVVJUPESUEUZUMZ-UHFFFAOYSA-N
MW216.08 g/mol
LogP1.83
Rot. Bonds1

About (4-amino-3-bromo-5-methylphenyl)methanol

(4-amino-3-bromo-5-methylphenyl)methanol (PubChem CID 134128919) has the molecular formula C8H10BrNO and a molecular weight of 216.08 g/mol. Its IUPAC name is (4-amino-3-bromo-5-methylphenyl)methanol.

Molecular Properties

Compound Name(4-amino-3-bromo-5-methylphenyl)methanol
PubChem CID134128919
Molecular FormulaC8H10BrNO
Molecular Weight216.08 g/mol
Exact Mass214.99
IUPAC Name(4-amino-3-bromo-5-methylphenyl)methanol
SMILESCc1cc(CO)cc(Br)c1N
InChIInChI=1S/C8H10BrNO/c1-5-2-6(4-11)3-7(9)8(5)10/h2-3,11H,4,10H2,1H3
InChIKeyVVJUPESUEUZUMZ-UHFFFAOYSA-N
XLogP1.83
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 ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4-amino-3-bromo-5-methylphenyl)methanol?
The IUPAC name of (4-amino-3-bromo-5-methylphenyl)methanol (CID 134128919) is (4-amino-3-bromo-5-methylphenyl)methanol.
What is the SMILES notation for (4-amino-3-bromo-5-methylphenyl)methanol?
The canonical SMILES for (4-amino-3-bromo-5-methylphenyl)methanol is Cc1cc(CO)cc(Br)c1N.
What is the InChIKey of (4-amino-3-bromo-5-methylphenyl)methanol?
The InChIKey is VVJUPESUEUZUMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10BrNO/c1-5-2-6(4-11)3-7(9)8(5)10/h2-3,11H,4,10H2,1H3.
What are the key properties of (4-amino-3-bromo-5-methylphenyl)methanol?
(4-amino-3-bromo-5-methylphenyl)methanol has a molecular weight of 216.08 g/mol, XLogP of 1.83, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-3-bromo-5-methylphenyl)methanol is sourced from PubChem (CID 134128919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).