N-amino-N-methylformamide;2-(bromomethyl)-3-fluoro-N-methylaniline

C10H15BrFN3O — CID 144659656

IUPACN-amino-N-methylformamide;2-(bromomethyl)-3-fluoro-N-methylaniline
SMILESCN(N)C=O.CNc1cccc(F)c1CBr
InChIInChI=1S/C8H9BrFN.C2H6N2O/c1-11-8-4-2-3-7(10)6(8)5-9;1-4(3)2-5/h2-4,11H,5H2,1H3;2H,3H2,1H3
InChIKeyFAHRDBVXTQUXBP-UHFFFAOYSA-N
MW292.15 g/mol
LogP1.71
Rot. Bonds3

About N-amino-N-methylformamide;2-(bromomethyl)-3-fluoro-N-methylaniline

N-amino-N-methylformamide;2-(bromomethyl)-3-fluoro-N-methylaniline (PubChem CID 144659656) has the molecular formula C10H15BrFN3O and a molecular weight of 292.15 g/mol. Its IUPAC name is N-amino-N-methylformamide;2-(bromomethyl)-3-fluoro-N-methylaniline.

Molecular Properties

Compound NameN-amino-N-methylformamide;2-(bromomethyl)-3-fluoro-N-methylaniline
PubChem CID144659656
Molecular FormulaC10H15BrFN3O
Molecular Weight292.15 g/mol
Exact Mass291.04
IUPAC NameN-amino-N-methylformamide;2-(bromomethyl)-3-fluoro-N-methylaniline
SMILESCN(N)C=O.CNc1cccc(F)c1CBr
InChIInChI=1S/C8H9BrFN.C2H6N2O/c1-11-8-4-2-3-7(10)6(8)5-9;1-4(3)2-5/h2-4,11H,5H2,1H3;2H,3H2,1H3
InChIKeyFAHRDBVXTQUXBP-UHFFFAOYSA-N
XLogP1.71
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.15
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[2-(bromomethyl)-3-fluorophenyl]hydrazine
CID 131075605
2-[2-fluoro-6-(methylamino)phenyl]acetic acid
CID 82280939
bis[2-[2-fluoro-6-(methylamino)phenyl]ethyl] propanedioate
CID 67798818
2-(bromomethyl)-1,3-difluorobenzene;hydrochloride
CID 175540499
2-(bromomethyl)-1,3-difluorobenzene;ethene
CID 178142068
2,3-difluoro-N-methylaniline
CID 50998712
N-amino-N-methylformamide;3-ethyl-4-[[2-methoxy-6-(methylamino)phenyl]methoxy]phenol
CID 144659615
3-fluoro-1-N,2-N-dimethylbenzene-1,2-diamine
CID 69472911
1,2-bis(bromomethyl)-3-fluorobenzene
CID 14111600
3-fluoro-N-methyl-2-[(2-methylphenoxy)methyl]aniline
CID 144784976
2-(bromomethyl)-3-fluoro-N-methyl-N-(2-methylphenyl)aniline
CID 114065440
2-[2-fluoro-6-(hydroxyamino)phenyl]acetaldehyde
CID 142578229

Frequently Asked Questions

What is the IUPAC name of N-amino-N-methylformamide;2-(bromomethyl)-3-fluoro-N-methylaniline?
The IUPAC name of N-amino-N-methylformamide;2-(bromomethyl)-3-fluoro-N-methylaniline (CID 144659656) is N-amino-N-methylformamide;2-(bromomethyl)-3-fluoro-N-methylaniline.
What is the SMILES notation for N-amino-N-methylformamide;2-(bromomethyl)-3-fluoro-N-methylaniline?
The canonical SMILES for N-amino-N-methylformamide;2-(bromomethyl)-3-fluoro-N-methylaniline is CN(N)C=O.CNc1cccc(F)c1CBr.
What is the InChIKey of N-amino-N-methylformamide;2-(bromomethyl)-3-fluoro-N-methylaniline?
The InChIKey is FAHRDBVXTQUXBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9BrFN.C2H6N2O/c1-11-8-4-2-3-7(10)6(8)5-9;1-4(3)2-5/h2-4,11H,5H2,1H3;2H,3H2,1H3.
What are the key properties of N-amino-N-methylformamide;2-(bromomethyl)-3-fluoro-N-methylaniline?
N-amino-N-methylformamide;2-(bromomethyl)-3-fluoro-N-methylaniline has a molecular weight of 292.15 g/mol, XLogP of 1.71, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-amino-N-methylformamide;2-(bromomethyl)-3-fluoro-N-methylaniline is sourced from PubChem (CID 144659656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).