1-(3-bromo-5-nitrophenoxy)-2-methylpropan-2-amine

C10H13BrN2O3 — CID 142787277

IUPAC1-(3-bromo-5-nitrophenoxy)-2-methylpropan-2-amine
SMILESCC(C)(N)COc1cc(Br)cc([N+](=O)[O-])c1
InChIInChI=1S/C10H13BrN2O3/c1-10(2,12)6-16-9-4-7(11)3-8(5-9)13(14)15/h3-5H,6,12H2,1-2H3
InChIKeyKNNLZNNZOCDZMB-UHFFFAOYSA-N
MW289.13 g/mol
LogP2.47
Rot. Bonds4

About 1-(3-bromo-5-nitrophenoxy)-2-methylpropan-2-amine

1-(3-bromo-5-nitrophenoxy)-2-methylpropan-2-amine (PubChem CID 142787277) has the molecular formula C10H13BrN2O3 and a molecular weight of 289.13 g/mol. Its IUPAC name is 1-(3-bromo-5-nitrophenoxy)-2-methylpropan-2-amine.

Molecular Properties

Compound Name1-(3-bromo-5-nitrophenoxy)-2-methylpropan-2-amine
PubChem CID142787277
Molecular FormulaC10H13BrN2O3
Molecular Weight289.13 g/mol
Exact Mass288.01
IUPAC Name1-(3-bromo-5-nitrophenoxy)-2-methylpropan-2-amine
SMILESCC(C)(N)COc1cc(Br)cc([N+](=O)[O-])c1
InChIInChI=1S/C10H13BrN2O3/c1-10(2,12)6-16-9-4-7(11)3-8(5-9)13(14)15/h3-5H,6,12H2,1-2H3
InChIKeyKNNLZNNZOCDZMB-UHFFFAOYSA-N
XLogP2.47
TPSA78.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.13
LogP ≤ 52.47
H-Bond Donors ≤ 51
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

2-amino-6-(3-bromo-5-nitrophenoxy)-2-methylhexanamide
CID 103589421
4-(3-bromo-5-nitrophenoxy)-2,2-dimethylbutanenitrile
CID 103588643
1-(3-bromo-5-nitrophenoxy)-3-(cyclopropylamino)-2-methylpropan-2-ol
CID 103588492
1-bromo-3-(3-bromopropoxy)-5-nitrobenzene
CID 103588530
2-(3-bromo-5-nitrophenoxy)-N-methylethanamine
CID 103588685
2-(3-bromo-5-nitrophenoxy)ethanesulfonamide
CID 103589539
(E)-4-(3-bromo-5-nitrophenoxy)but-2-en-1-amine
CID 103588700
2-amino-5-(3-bromo-5-nitrophenoxy)-2-ethylpentanoic acid
CID 106807206
9-(3-bromo-5-nitrophenoxy)nonane-1-thiol
CID 103589603
1-bromo-3-(5-chloropentoxy)-5-nitrobenzene
CID 103588512
1-bromo-3-(2,2-diethoxyethoxy)-5-nitrobenzene
CID 103588990
ethyl 5-(3-bromo-5-nitrophenoxy)-4-oxopentanoate
CID 103588952

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-5-nitrophenoxy)-2-methylpropan-2-amine?
The IUPAC name of 1-(3-bromo-5-nitrophenoxy)-2-methylpropan-2-amine (CID 142787277) is 1-(3-bromo-5-nitrophenoxy)-2-methylpropan-2-amine.
What is the SMILES notation for 1-(3-bromo-5-nitrophenoxy)-2-methylpropan-2-amine?
The canonical SMILES for 1-(3-bromo-5-nitrophenoxy)-2-methylpropan-2-amine is CC(C)(N)COc1cc(Br)cc([N+](=O)[O-])c1.
What is the InChIKey of 1-(3-bromo-5-nitrophenoxy)-2-methylpropan-2-amine?
The InChIKey is KNNLZNNZOCDZMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrN2O3/c1-10(2,12)6-16-9-4-7(11)3-8(5-9)13(14)15/h3-5H,6,12H2,1-2H3.
What are the key properties of 1-(3-bromo-5-nitrophenoxy)-2-methylpropan-2-amine?
1-(3-bromo-5-nitrophenoxy)-2-methylpropan-2-amine has a molecular weight of 289.13 g/mol, XLogP of 2.47, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-5-nitrophenoxy)-2-methylpropan-2-amine is sourced from PubChem (CID 142787277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).