1-(2-bromo-5-fluorophenyl)-N-methyl-2-(2-nitrophenyl)ethanamine

C15H14BrFN2O2 — CID 61080048

IUPAC1-(2-bromo-5-fluorophenyl)-N-methyl-2-(2-nitrophenyl)ethanamine
SMILESCNC(Cc1ccccc1[N+](=O)[O-])c1cc(F)ccc1Br
InChIInChI=1S/C15H14BrFN2O2/c1-18-14(12-9-11(17)6-7-13(12)16)8-10-4-2-3-5-15(10)19(20)21/h2-7,9,14,18H,8H2,1H3
InChIKeyDWJMGXJPQCKFOP-UHFFFAOYSA-N
MW353.19 g/mol
LogP4.00
Rot. Bonds5

About 1-(2-bromo-5-fluorophenyl)-N-methyl-2-(2-nitrophenyl)ethanamine

1-(2-bromo-5-fluorophenyl)-N-methyl-2-(2-nitrophenyl)ethanamine (PubChem CID 61080048) has the molecular formula C15H14BrFN2O2 and a molecular weight of 353.19 g/mol. Its IUPAC name is 1-(2-bromo-5-fluorophenyl)-N-methyl-2-(2-nitrophenyl)ethanamine.

Molecular Properties

Compound Name1-(2-bromo-5-fluorophenyl)-N-methyl-2-(2-nitrophenyl)ethanamine
PubChem CID61080048
Molecular FormulaC15H14BrFN2O2
Molecular Weight353.19 g/mol
Exact Mass352.02
IUPAC Name1-(2-bromo-5-fluorophenyl)-N-methyl-2-(2-nitrophenyl)ethanamine
SMILESCNC(Cc1ccccc1[N+](=O)[O-])c1cc(F)ccc1Br
InChIInChI=1S/C15H14BrFN2O2/c1-18-14(12-9-11(17)6-7-13(12)16)8-10-4-2-3-5-15(10)19(20)21/h2-7,9,14,18H,8H2,1H3
InChIKeyDWJMGXJPQCKFOP-UHFFFAOYSA-N
XLogP4.00
TPSA55.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.19
LogP ≤ 54.00
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-(2-chlorophenyl)-N-methyl-2-(2-nitrophenyl)ethanamine
CID 12909659
1-(2-fluoro-3-methylphenyl)-N-methyl-2-(2-nitrophenyl)ethanamine
CID 81481100
1-(2-bromo-5-fluorophenyl)-2-(2-chloro-3-fluorophenyl)-N-methylethanamine
CID 105032368
N-methyl-2-(2-nitrophenyl)-1-phenylethanamine;hydrochloride
CID 12915154
N-[(2-bromo-5-fluorophenyl)methyl]-1-(2-nitrophenyl)methanamine
CID 61016314
1-(5-fluoro-2-methylphenyl)-2-(2-nitrophenyl)ethanol
CID 63049499
1-(2-chlorofuran-3-yl)-N-methyl-2-(2-nitrophenyl)ethanamine
CID 106687794
1-(2,3-dichlorophenyl)-N-methyl-2-(2-nitrophenyl)ethanamine
CID 61080227
N-[(2-bromo-5-fluorophenyl)methyl]-1-(2-nitrophenyl)ethanamine
CID 61017117
(1S)-1-(2-bromophenyl)-N-[(5-fluoro-2-nitrophenyl)methyl]ethanamine
CID 81378356
1-(3-bromo-5-chlorophenyl)-N-methyl-2-(2-nitrophenyl)ethanamine
CID 107955239
1-(2-bromo-5-fluorophenyl)-2-(2,5-dimethylphenyl)-N-methylethanamine
CID 63527626

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-5-fluorophenyl)-N-methyl-2-(2-nitrophenyl)ethanamine?
The IUPAC name of 1-(2-bromo-5-fluorophenyl)-N-methyl-2-(2-nitrophenyl)ethanamine (CID 61080048) is 1-(2-bromo-5-fluorophenyl)-N-methyl-2-(2-nitrophenyl)ethanamine.
What is the SMILES notation for 1-(2-bromo-5-fluorophenyl)-N-methyl-2-(2-nitrophenyl)ethanamine?
The canonical SMILES for 1-(2-bromo-5-fluorophenyl)-N-methyl-2-(2-nitrophenyl)ethanamine is CNC(Cc1ccccc1[N+](=O)[O-])c1cc(F)ccc1Br.
What is the InChIKey of 1-(2-bromo-5-fluorophenyl)-N-methyl-2-(2-nitrophenyl)ethanamine?
The InChIKey is DWJMGXJPQCKFOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrFN2O2/c1-18-14(12-9-11(17)6-7-13(12)16)8-10-4-2-3-5-15(10)19(20)21/h2-7,9,14,18H,8H2,1H3.
What are the key properties of 1-(2-bromo-5-fluorophenyl)-N-methyl-2-(2-nitrophenyl)ethanamine?
1-(2-bromo-5-fluorophenyl)-N-methyl-2-(2-nitrophenyl)ethanamine has a molecular weight of 353.19 g/mol, XLogP of 4.00, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-5-fluorophenyl)-N-methyl-2-(2-nitrophenyl)ethanamine is sourced from PubChem (CID 61080048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).