2-amino-5-bromophenol;2-methylpropane

C10H16BrNO — CID 143907828

IUPAC2-amino-5-bromophenol;2-methylpropane
SMILESCC(C)C.Nc1ccc(Br)cc1O
InChIInChI=1S/C6H6BrNO.C4H10/c7-4-1-2-5(8)6(9)3-4;1-4(2)3/h1-3,9H,8H2;4H,1-3H3
InChIKeyUEAVDZLPXLOPRF-UHFFFAOYSA-N
MW246.15 g/mol
LogP3.40
Rot. Bonds

About 2-amino-5-bromophenol;2-methylpropane

2-amino-5-bromophenol;2-methylpropane (PubChem CID 143907828) has the molecular formula C10H16BrNO and a molecular weight of 246.15 g/mol. Its IUPAC name is 2-amino-5-bromophenol;2-methylpropane.

Molecular Properties

Compound Name2-amino-5-bromophenol;2-methylpropane
PubChem CID143907828
Molecular FormulaC10H16BrNO
Molecular Weight246.15 g/mol
Exact Mass245.04
IUPAC Name2-amino-5-bromophenol;2-methylpropane
SMILESCC(C)C.Nc1ccc(Br)cc1O
InChIInChI=1S/C6H6BrNO.C4H10/c7-4-1-2-5(8)6(9)3-4;1-4(2)3/h1-3,9H,8H2;4H,1-3H3
InChIKeyUEAVDZLPXLOPRF-UHFFFAOYSA-N
XLogP3.40
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.15
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(2-amino-5-bromophenyl)ethanol
CID 68865052
5-bromo-2-[(1S)-1-hydroxyethyl]phenol
CID 102949153
2-amino-4-bromophenol;hydrochloride
CID 46738123
2-amino-5-[(1R)-1-aminoethyl]phenol
CID 55297300
5-bromo-2-[(1S,2S)-1,2-diaminopropyl]phenol
CID 130863037
2-[(1S,2S)-1-amino-2-hydroxypropyl]-5-bromophenol
CID 130691450
4-bromo-2-hydroxy-N,N-di(propan-2-yl)benzamide
CID 132991594
azane;4-bromo-2-methylaniline
CID 175038668
4-bromo-2-propan-2-yloxyaniline
CID 50998232
5-bromo-2-methylsulfanylphenol
CID 21187949
2-(3-aminobutyl)-5-bromophenol
CID 130001244
2-amino-4-bromophenol;bis(4-bromophenol)
CID 67677051

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-bromophenol;2-methylpropane?
The IUPAC name of 2-amino-5-bromophenol;2-methylpropane (CID 143907828) is 2-amino-5-bromophenol;2-methylpropane.
What is the SMILES notation for 2-amino-5-bromophenol;2-methylpropane?
The canonical SMILES for 2-amino-5-bromophenol;2-methylpropane is CC(C)C.Nc1ccc(Br)cc1O.
What is the InChIKey of 2-amino-5-bromophenol;2-methylpropane?
The InChIKey is UEAVDZLPXLOPRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6BrNO.C4H10/c7-4-1-2-5(8)6(9)3-4;1-4(2)3/h1-3,9H,8H2;4H,1-3H3.
What are the key properties of 2-amino-5-bromophenol;2-methylpropane?
2-amino-5-bromophenol;2-methylpropane has a molecular weight of 246.15 g/mol, XLogP of 3.40, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-bromophenol;2-methylpropane is sourced from PubChem (CID 143907828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).