[2-amino-6-bromo-3-(methylamino)phenyl]methanol

C8H11BrN2O — CID 170334736

IUPAC[2-amino-6-bromo-3-(methylamino)phenyl]methanol
SMILESCNc1ccc(Br)c(CO)c1N
InChIInChI=1S/C8H11BrN2O/c1-11-7-3-2-6(9)5(4-12)8(7)10/h2-3,11-12H,4,10H2,1H3
InChIKeyNRPDYFQYHGCEMU-UHFFFAOYSA-N
MW231.09 g/mol
LogP1.57
Rot. Bonds2

About [2-amino-6-bromo-3-(methylamino)phenyl]methanol

[2-amino-6-bromo-3-(methylamino)phenyl]methanol (PubChem CID 170334736) has the molecular formula C8H11BrN2O and a molecular weight of 231.09 g/mol. Its IUPAC name is [2-amino-6-bromo-3-(methylamino)phenyl]methanol.

Molecular Properties

Compound Name[2-amino-6-bromo-3-(methylamino)phenyl]methanol
PubChem CID170334736
Molecular FormulaC8H11BrN2O
Molecular Weight231.09 g/mol
Exact Mass230.01
IUPAC Name[2-amino-6-bromo-3-(methylamino)phenyl]methanol
SMILESCNc1ccc(Br)c(CO)c1N
InChIInChI=1S/C8H11BrN2O/c1-11-7-3-2-6(9)5(4-12)8(7)10/h2-3,11-12H,4,10H2,1H3
InChIKeyNRPDYFQYHGCEMU-UHFFFAOYSA-N
XLogP1.57
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.09
LogP ≤ 51.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [2-amino-6-bromo-3-(methylamino)phenyl]methanol?
The IUPAC name of [2-amino-6-bromo-3-(methylamino)phenyl]methanol (CID 170334736) is [2-amino-6-bromo-3-(methylamino)phenyl]methanol.
What is the SMILES notation for [2-amino-6-bromo-3-(methylamino)phenyl]methanol?
The canonical SMILES for [2-amino-6-bromo-3-(methylamino)phenyl]methanol is CNc1ccc(Br)c(CO)c1N.
What is the InChIKey of [2-amino-6-bromo-3-(methylamino)phenyl]methanol?
The InChIKey is NRPDYFQYHGCEMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11BrN2O/c1-11-7-3-2-6(9)5(4-12)8(7)10/h2-3,11-12H,4,10H2,1H3.
What are the key properties of [2-amino-6-bromo-3-(methylamino)phenyl]methanol?
[2-amino-6-bromo-3-(methylamino)phenyl]methanol has a molecular weight of 231.09 g/mol, XLogP of 1.57, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-amino-6-bromo-3-(methylamino)phenyl]methanol is sourced from PubChem (CID 170334736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).