4-(2-amino-2-methylpropyl)-2-bromo-6-nitrophenol

C10H13BrN2O3 — CID 117466873

IUPAC4-(2-amino-2-methylpropyl)-2-bromo-6-nitrophenol
SMILESCC(C)(N)Cc1cc(Br)c(O)c([N+](=O)[O-])c1
InChIInChI=1S/C10H13BrN2O3/c1-10(2,12)5-6-3-7(11)9(14)8(4-6)13(15)16/h3-4,14H,5,12H2,1-2H3
InChIKeyUHFADZYTMLNURB-UHFFFAOYSA-N
MW289.13 g/mol
LogP2.34
Rot. Bonds3

About 4-(2-amino-2-methylpropyl)-2-bromo-6-nitrophenol

4-(2-amino-2-methylpropyl)-2-bromo-6-nitrophenol (PubChem CID 117466873) has the molecular formula C10H13BrN2O3 and a molecular weight of 289.13 g/mol. Its IUPAC name is 4-(2-amino-2-methylpropyl)-2-bromo-6-nitrophenol.

Molecular Properties

Compound Name4-(2-amino-2-methylpropyl)-2-bromo-6-nitrophenol
PubChem CID117466873
Molecular FormulaC10H13BrN2O3
Molecular Weight289.13 g/mol
Exact Mass288.01
IUPAC Name4-(2-amino-2-methylpropyl)-2-bromo-6-nitrophenol
SMILESCC(C)(N)Cc1cc(Br)c(O)c([N+](=O)[O-])c1
InChIInChI=1S/C10H13BrN2O3/c1-10(2,12)5-6-3-7(11)9(14)8(4-6)13(15)16/h3-4,14H,5,12H2,1-2H3
InChIKeyUHFADZYTMLNURB-UHFFFAOYSA-N
XLogP2.34
TPSA89.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.13
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-amino-3-(3-bromo-4-hydroxy-5-nitrophenyl)propanoic acid
CID 170692685
2-bromo-4-tert-butyl-6-nitrophenol acetate
CID 170453400
3-amino-2-(3-bromo-4-hydroxy-5-nitrophenyl)propanoic acid
CID 117490171
2-bromo-4-(1-hydroxypropan-2-yl)-6-nitrophenol
CID 117441544
3-bromo-4-hydroxy-5-nitrobenzaldehyde
CID 1494378
2-bromo-4,6-dinitrobenzene-1,3-diol
CID 18958398
2,6-dibromo-3-methyl-4-nitrophenol
CID 2769633
2-methyl-1-(3-nitrophenyl)propan-2-amine
CID 65015484
5-(hydroxymethyl)-3-nitrobenzene-1,2-diol
CID 18990374
2-bromo-4-(fluoromethyl)-6-nitroaniline;difluoromethane
CID 134067311
2,6-dibromo-4-[(3-chloro-4-nitroanilino)methyl]phenol
CID 107741009
2-[(3-bromo-4-hydroxy-5-nitrophenyl)methylideneamino]guanidine
CID 168592594

Frequently Asked Questions

What is the IUPAC name of 4-(2-amino-2-methylpropyl)-2-bromo-6-nitrophenol?
The IUPAC name of 4-(2-amino-2-methylpropyl)-2-bromo-6-nitrophenol (CID 117466873) is 4-(2-amino-2-methylpropyl)-2-bromo-6-nitrophenol.
What is the SMILES notation for 4-(2-amino-2-methylpropyl)-2-bromo-6-nitrophenol?
The canonical SMILES for 4-(2-amino-2-methylpropyl)-2-bromo-6-nitrophenol is CC(C)(N)Cc1cc(Br)c(O)c([N+](=O)[O-])c1.
What is the InChIKey of 4-(2-amino-2-methylpropyl)-2-bromo-6-nitrophenol?
The InChIKey is UHFADZYTMLNURB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrN2O3/c1-10(2,12)5-6-3-7(11)9(14)8(4-6)13(15)16/h3-4,14H,5,12H2,1-2H3.
What are the key properties of 4-(2-amino-2-methylpropyl)-2-bromo-6-nitrophenol?
4-(2-amino-2-methylpropyl)-2-bromo-6-nitrophenol has a molecular weight of 289.13 g/mol, XLogP of 2.34, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-amino-2-methylpropyl)-2-bromo-6-nitrophenol is sourced from PubChem (CID 117466873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).