N-[(2,5-difluorophenyl)methyl]-2-(2-nitrophenyl)ethanamine

C15H14F2N2O2 — CID 63793575

IUPACN-[(2,5-difluorophenyl)methyl]-2-(2-nitrophenyl)ethanamine
SMILESO=[N+]([O-])c1ccccc1CCNCc1cc(F)ccc1F
InChIInChI=1S/C15H14F2N2O2/c16-13-5-6-14(17)12(9-13)10-18-8-7-11-3-1-2-4-15(11)19(20)21/h1-6,9,18H,7-8,10H2
InChIKeyYIHVCJDTXNXXDZ-UHFFFAOYSA-N
MW292.29 g/mol
LogP3.21
Rot. Bonds6

About N-[(2,5-difluorophenyl)methyl]-2-(2-nitrophenyl)ethanamine

N-[(2,5-difluorophenyl)methyl]-2-(2-nitrophenyl)ethanamine (PubChem CID 63793575) has the molecular formula C15H14F2N2O2 and a molecular weight of 292.29 g/mol. Its IUPAC name is N-[(2,5-difluorophenyl)methyl]-2-(2-nitrophenyl)ethanamine.

Molecular Properties

Compound NameN-[(2,5-difluorophenyl)methyl]-2-(2-nitrophenyl)ethanamine
PubChem CID63793575
Molecular FormulaC15H14F2N2O2
Molecular Weight292.29 g/mol
Exact Mass292.10
IUPAC NameN-[(2,5-difluorophenyl)methyl]-2-(2-nitrophenyl)ethanamine
SMILESO=[N+]([O-])c1ccccc1CCNCc1cc(F)ccc1F
InChIInChI=1S/C15H14F2N2O2/c16-13-5-6-14(17)12(9-13)10-18-8-7-11-3-1-2-4-15(11)19(20)21/h1-6,9,18H,7-8,10H2
InChIKeyYIHVCJDTXNXXDZ-UHFFFAOYSA-N
XLogP3.21
TPSA55.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.29
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(2,5-difluorophenyl)methyl]-1-(5-fluoro-2-nitrophenyl)methanamine
CID 63796050
N-[(5-fluoro-2-methylphenyl)methyl]-1-(2-nitrophenyl)methanamine
CID 115967957
2-[[2-(2-nitrophenyl)ethylamino]methyl]phenol
CID 115656030
N-[(2-bromo-5-fluorophenyl)methyl]-1-(2-nitrophenyl)methanamine
CID 61016314
N-[(2-chloro-5-fluorophenyl)methyl]-1-(2-nitrophenyl)methanamine
CID 102615632
N-[(2-fluorophenyl)methyl]-1-(2-nitrophenyl)methanamine
CID 28582574
N-[(5-bromo-2-fluorophenyl)methyl]-1-(5-fluoro-2-nitrophenyl)methanamine
CID 61301011
N-[(2-methylphenyl)methyl]-2-(2-nitrophenyl)ethanamine
CID 63063478
N-[(4-bromo-2-nitrophenyl)methyl]-2-(2-fluorophenyl)ethanamine
CID 114380977
N-[(2-chloro-6-nitrophenyl)methyl]-1-(2,5-difluorophenyl)methanamine
CID 63794809
N'-[(5-fluoro-2-nitrophenyl)methyl]propane-1,3-diamine
CID 62275208
2,5-difluoro-N-[(2-nitrophenyl)methyl]aniline
CID 28574528

Frequently Asked Questions

What is the IUPAC name of N-[(2,5-difluorophenyl)methyl]-2-(2-nitrophenyl)ethanamine?
The IUPAC name of N-[(2,5-difluorophenyl)methyl]-2-(2-nitrophenyl)ethanamine (CID 63793575) is N-[(2,5-difluorophenyl)methyl]-2-(2-nitrophenyl)ethanamine.
What is the SMILES notation for N-[(2,5-difluorophenyl)methyl]-2-(2-nitrophenyl)ethanamine?
The canonical SMILES for N-[(2,5-difluorophenyl)methyl]-2-(2-nitrophenyl)ethanamine is O=[N+]([O-])c1ccccc1CCNCc1cc(F)ccc1F.
What is the InChIKey of N-[(2,5-difluorophenyl)methyl]-2-(2-nitrophenyl)ethanamine?
The InChIKey is YIHVCJDTXNXXDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F2N2O2/c16-13-5-6-14(17)12(9-13)10-18-8-7-11-3-1-2-4-15(11)19(20)21/h1-6,9,18H,7-8,10H2.
What are the key properties of N-[(2,5-difluorophenyl)methyl]-2-(2-nitrophenyl)ethanamine?
N-[(2,5-difluorophenyl)methyl]-2-(2-nitrophenyl)ethanamine has a molecular weight of 292.29 g/mol, XLogP of 3.21, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-difluorophenyl)methyl]-2-(2-nitrophenyl)ethanamine is sourced from PubChem (CID 63793575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).