1-(2-bromo-6-nitrophenyl)-N,N-dimethylmethanamine

C9H11BrN2O2 — CID 165469208

IUPAC1-(2-bromo-6-nitrophenyl)-N,N-dimethylmethanamine
SMILESCN(C)Cc1c(Br)cccc1[N+](=O)[O-]
InChIInChI=1S/C9H11BrN2O2/c1-11(2)6-7-8(10)4-3-5-9(7)12(13)14/h3-5H,6H2,1-2H3
InChIKeyMNWCAABKMZGALK-UHFFFAOYSA-N
MW259.10 g/mol
LogP2.42
Rot. Bonds3

About 1-(2-bromo-6-nitrophenyl)-N,N-dimethylmethanamine

1-(2-bromo-6-nitrophenyl)-N,N-dimethylmethanamine (PubChem CID 165469208) has the molecular formula C9H11BrN2O2 and a molecular weight of 259.10 g/mol. Its IUPAC name is 1-(2-bromo-6-nitrophenyl)-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-(2-bromo-6-nitrophenyl)-N,N-dimethylmethanamine
PubChem CID165469208
Molecular FormulaC9H11BrN2O2
Molecular Weight259.10 g/mol
Exact Mass258.00
IUPAC Name1-(2-bromo-6-nitrophenyl)-N,N-dimethylmethanamine
SMILESCN(C)Cc1c(Br)cccc1[N+](=O)[O-]
InChIInChI=1S/C9H11BrN2O2/c1-11(2)6-7-8(10)4-3-5-9(7)12(13)14/h3-5H,6H2,1-2H3
InChIKeyMNWCAABKMZGALK-UHFFFAOYSA-N
XLogP2.42
TPSA46.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.10
LogP ≤ 52.42
H-Bond Donors ≤ 50
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

(2-bromo-6-nitrophenyl)methyl-methylcarbamic acid
CID 18444468
(2-bromo-6-nitrophenyl)methyl-trifluoroboranuide
CID 171374100
N,N-dimethyl-1-(2-methyl-4-nitro-1H-indol-3-yl)methanamine
CID 68689213
2-(bromomethyl)-1,3-dinitrobenzene
CID 10848958
1-bromo-2-nitrobenzene;ethane
CID 91072043
1-bromo-2-nitrobenzene
CID 158366116
2-(benzenesulfonylmethyl)-1-bromo-3-nitrobenzene
CID 13256982
1-bromo-2-isocyanato-3-nitrobenzene
CID 115044885
1-bromo-2-chloro-3-nitrobenzene
CID 22736053
1-(2-hydrazinyl-3-nitrophenyl)-N,N-dimethylmethanamine
CID 107353006
1-bromo-2-diethoxyphosphoryl-3-nitrobenzene
CID 166610014
2-(bromomethyl)-1-[2-(bromomethyl)-3-nitrophenyl]-3-nitrobenzene
CID 19771317

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-6-nitrophenyl)-N,N-dimethylmethanamine?
The IUPAC name of 1-(2-bromo-6-nitrophenyl)-N,N-dimethylmethanamine (CID 165469208) is 1-(2-bromo-6-nitrophenyl)-N,N-dimethylmethanamine.
What is the SMILES notation for 1-(2-bromo-6-nitrophenyl)-N,N-dimethylmethanamine?
The canonical SMILES for 1-(2-bromo-6-nitrophenyl)-N,N-dimethylmethanamine is CN(C)Cc1c(Br)cccc1[N+](=O)[O-].
What is the InChIKey of 1-(2-bromo-6-nitrophenyl)-N,N-dimethylmethanamine?
The InChIKey is MNWCAABKMZGALK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrN2O2/c1-11(2)6-7-8(10)4-3-5-9(7)12(13)14/h3-5H,6H2,1-2H3.
What are the key properties of 1-(2-bromo-6-nitrophenyl)-N,N-dimethylmethanamine?
1-(2-bromo-6-nitrophenyl)-N,N-dimethylmethanamine has a molecular weight of 259.10 g/mol, XLogP of 2.42, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-6-nitrophenyl)-N,N-dimethylmethanamine is sourced from PubChem (CID 165469208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).