2-(2-bromo-6-nitrophenyl)propan-2-amine

C9H11BrN2O2 — CID 164653573

IUPAC2-(2-bromo-6-nitrophenyl)propan-2-amine
SMILESCC(C)(N)c1c(Br)cccc1[N+](=O)[O-]
InChIInChI=1S/C9H11BrN2O2/c1-9(2,11)8-6(10)4-3-5-7(8)12(13)14/h3-5H,11H2,1-2H3
InChIKeyAPKFZRFBFGQXQR-UHFFFAOYSA-N
MW259.10 g/mol
LogP2.55
Rot. Bonds2

About 2-(2-bromo-6-nitrophenyl)propan-2-amine

2-(2-bromo-6-nitrophenyl)propan-2-amine (PubChem CID 164653573) has the molecular formula C9H11BrN2O2 and a molecular weight of 259.10 g/mol. Its IUPAC name is 2-(2-bromo-6-nitrophenyl)propan-2-amine.

Molecular Properties

Compound Name2-(2-bromo-6-nitrophenyl)propan-2-amine
PubChem CID164653573
Molecular FormulaC9H11BrN2O2
Molecular Weight259.10 g/mol
Exact Mass258.00
IUPAC Name2-(2-bromo-6-nitrophenyl)propan-2-amine
SMILESCC(C)(N)c1c(Br)cccc1[N+](=O)[O-]
InChIInChI=1S/C9H11BrN2O2/c1-9(2,11)8-6(10)4-3-5-7(8)12(13)14/h3-5H,11H2,1-2H3
InChIKeyAPKFZRFBFGQXQR-UHFFFAOYSA-N
XLogP2.55
TPSA69.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.10
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

1-bromo-2-nitrobenzene;ethane
CID 91072043
1-bromo-2-nitrobenzene
CID 158366116
1-bromo-2-chloro-3-nitrobenzene
CID 22736053
1-bromo-2-nitrobenzene;propan-2-one
CID 46911798
1-(2-chloro-6-nitrophenyl)-2-methylpropan-2-amine
CID 65015630
(1R)-1-(2-bromo-6-nitrophenyl)ethanol
CID 125183611
1-(2-bromo-6-nitrophenyl)-N,N-dimethylmethanamine
CID 165469208
1-bromo-5-(2-nitrophenyl)naphthalene
CID 118332360
2-(2-methoxy-6-nitrophenyl)-2-methylpropanamide
CID 606095
1-bromo-3-nitro-2-(1,1,1-trifluoropropan-2-yloxy)benzene
CID 177233626
ethyl 2-(2-bromo-6-nitroanilino)acetate
CID 176550415
2-[(2,6-dinitrophenyl)diselanyl]-1,3-dinitrobenzene
CID 88784383

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-6-nitrophenyl)propan-2-amine?
The IUPAC name of 2-(2-bromo-6-nitrophenyl)propan-2-amine (CID 164653573) is 2-(2-bromo-6-nitrophenyl)propan-2-amine.
What is the SMILES notation for 2-(2-bromo-6-nitrophenyl)propan-2-amine?
The canonical SMILES for 2-(2-bromo-6-nitrophenyl)propan-2-amine is CC(C)(N)c1c(Br)cccc1[N+](=O)[O-].
What is the InChIKey of 2-(2-bromo-6-nitrophenyl)propan-2-amine?
The InChIKey is APKFZRFBFGQXQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrN2O2/c1-9(2,11)8-6(10)4-3-5-7(8)12(13)14/h3-5H,11H2,1-2H3.
What are the key properties of 2-(2-bromo-6-nitrophenyl)propan-2-amine?
2-(2-bromo-6-nitrophenyl)propan-2-amine has a molecular weight of 259.10 g/mol, XLogP of 2.55, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-6-nitrophenyl)propan-2-amine is sourced from PubChem (CID 164653573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).