5-bromo-2-(dimethylphosphanylmethyl)-N-methylaniline

C10H15BrNP — CID 176944948

IUPAC5-bromo-2-(dimethylphosphanylmethyl)-N-methylaniline
SMILESCNc1cc(Br)ccc1CP(C)C
InChIInChI=1S/C10H15BrNP/c1-12-10-6-9(11)5-4-8(10)7-13(2)3/h4-6,12H,7H2,1-3H3
InChIKeyFCGQDJOQGAGRTG-UHFFFAOYSA-N
MW260.12 g/mol
LogP3.73
Rot. Bonds3

About 5-bromo-2-(dimethylphosphanylmethyl)-N-methylaniline

5-bromo-2-(dimethylphosphanylmethyl)-N-methylaniline (PubChem CID 176944948) has the molecular formula C10H15BrNP and a molecular weight of 260.12 g/mol. Its IUPAC name is 5-bromo-2-(dimethylphosphanylmethyl)-N-methylaniline.

Molecular Properties

Compound Name5-bromo-2-(dimethylphosphanylmethyl)-N-methylaniline
PubChem CID176944948
Molecular FormulaC10H15BrNP
Molecular Weight260.12 g/mol
Exact Mass259.01
IUPAC Name5-bromo-2-(dimethylphosphanylmethyl)-N-methylaniline
SMILESCNc1cc(Br)ccc1CP(C)C
InChIInChI=1S/C10H15BrNP/c1-12-10-6-9(11)5-4-8(10)7-13(2)3/h4-6,12H,7H2,1-3H3
InChIKeyFCGQDJOQGAGRTG-UHFFFAOYSA-N
XLogP3.73
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.12
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-N-methyl-2-phenylaniline
CID 69363671
4-bromo-2-(methylamino)benzonitrile
CID 24903089
[4-bromo-2-(methylamino)phenyl]-hydroxyazanium
CID 170716961
4-bromo-2-(methylamino)benzoic acid
CID 13384102
4-bromo-1-N-(2-ethoxyethyl)-2-N-methylbenzene-1,2-diamine
CID 138465990
2-[4-bromo-2-(methylamino)phenoxy]acetaldehyde
CID 177054962
4-bromo-1-N-methoxy-1-N,2-N-dimethylbenzene-1,2-diamine
CID 167186750
2-[4-bromo-2-(methylamino)phenyl]-2-methylpropanal
CID 143821318
1-(4-bromo-2-fluorophenyl)-N-methylmethanamine
CID 43090177
5-bromo-2-ethanimidoyl-N-methylaniline
CID 145062110
4-bromo-2-diazenyl-N-methylaniline
CID 149374593
4-bromo-2-(methylamino)benzenecarboximidoyl fluoride
CID 145094809

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(dimethylphosphanylmethyl)-N-methylaniline?
The IUPAC name of 5-bromo-2-(dimethylphosphanylmethyl)-N-methylaniline (CID 176944948) is 5-bromo-2-(dimethylphosphanylmethyl)-N-methylaniline.
What is the SMILES notation for 5-bromo-2-(dimethylphosphanylmethyl)-N-methylaniline?
The canonical SMILES for 5-bromo-2-(dimethylphosphanylmethyl)-N-methylaniline is CNc1cc(Br)ccc1CP(C)C.
What is the InChIKey of 5-bromo-2-(dimethylphosphanylmethyl)-N-methylaniline?
The InChIKey is FCGQDJOQGAGRTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15BrNP/c1-12-10-6-9(11)5-4-8(10)7-13(2)3/h4-6,12H,7H2,1-3H3.
What are the key properties of 5-bromo-2-(dimethylphosphanylmethyl)-N-methylaniline?
5-bromo-2-(dimethylphosphanylmethyl)-N-methylaniline has a molecular weight of 260.12 g/mol, XLogP of 3.73, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(dimethylphosphanylmethyl)-N-methylaniline is sourced from PubChem (CID 176944948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).