N-[(5-fluoro-2-nitrophenyl)methyl]-1-(3-fluorophenyl)methanamine

C14H12F2N2O2 — CID 43443606

IUPACN-[(5-fluoro-2-nitrophenyl)methyl]-1-(3-fluorophenyl)methanamine
SMILESO=[N+]([O-])c1ccc(F)cc1CNCc1cccc(F)c1
InChIInChI=1S/C14H12F2N2O2/c15-12-3-1-2-10(6-12)8-17-9-11-7-13(16)4-5-14(11)18(19)20/h1-7,17H,8-9H2
InChIKeyGTELWOCSLNZJEK-UHFFFAOYSA-N
MW278.26 g/mol
LogP3.16
Rot. Bonds5

About N-[(5-fluoro-2-nitrophenyl)methyl]-1-(3-fluorophenyl)methanamine

N-[(5-fluoro-2-nitrophenyl)methyl]-1-(3-fluorophenyl)methanamine (PubChem CID 43443606) has the molecular formula C14H12F2N2O2 and a molecular weight of 278.26 g/mol. Its IUPAC name is N-[(5-fluoro-2-nitrophenyl)methyl]-1-(3-fluorophenyl)methanamine.

Molecular Properties

Compound NameN-[(5-fluoro-2-nitrophenyl)methyl]-1-(3-fluorophenyl)methanamine
PubChem CID43443606
Molecular FormulaC14H12F2N2O2
Molecular Weight278.26 g/mol
Exact Mass278.09
IUPAC NameN-[(5-fluoro-2-nitrophenyl)methyl]-1-(3-fluorophenyl)methanamine
SMILESO=[N+]([O-])c1ccc(F)cc1CNCc1cccc(F)c1
InChIInChI=1S/C14H12F2N2O2/c15-12-3-1-2-10(6-12)8-17-9-11-7-13(16)4-5-14(11)18(19)20/h1-7,17H,8-9H2
InChIKeyGTELWOCSLNZJEK-UHFFFAOYSA-N
XLogP3.16
TPSA55.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.26
LogP ≤ 53.16
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

N-methyl-1-(3-nitrophenyl)methanamine
CID 409439
N-benzyl-2-methyl-4-nitroaniline
CID 2851650
Methyl((3-nitrophenyl)methyl)amine hydrochloride
CID 522947
N-benzyl-4-nitroaniline
CID 84342
4-fluoro-2-methyl-N-[(4-nitrophenyl)methyl]aniline
CID 791676
AG-690/11820303
CID 2850828
N-[4-nitro-2-(trifluoromethyl)phenyl]propane-1,3-diamine hydrochloride
CID 16192704
N-methyl-N-(2-nitrobenzyl)-2-phenylethanamine
CID 782473
4-Methyl-1-(2-nitro-benzyl)-piperidine
CID 15153360
N-[(4-nitrophenyl)methyl]aniline
CID 96956
Ethyl((3-nitrophenyl)methyl)amine hydrochloride
CID 17293882
N1-(4-Fluorobenzyl)-3-nitro-1,4-phenylenediamine
CID 20096587

Frequently Asked Questions

What is the IUPAC name of N-[(5-fluoro-2-nitrophenyl)methyl]-1-(3-fluorophenyl)methanamine?
The IUPAC name of N-[(5-fluoro-2-nitrophenyl)methyl]-1-(3-fluorophenyl)methanamine (CID 43443606) is N-[(5-fluoro-2-nitrophenyl)methyl]-1-(3-fluorophenyl)methanamine.
What is the SMILES notation for N-[(5-fluoro-2-nitrophenyl)methyl]-1-(3-fluorophenyl)methanamine?
The canonical SMILES for N-[(5-fluoro-2-nitrophenyl)methyl]-1-(3-fluorophenyl)methanamine is O=[N+]([O-])c1ccc(F)cc1CNCc1cccc(F)c1.
What is the InChIKey of N-[(5-fluoro-2-nitrophenyl)methyl]-1-(3-fluorophenyl)methanamine?
The InChIKey is GTELWOCSLNZJEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F2N2O2/c15-12-3-1-2-10(6-12)8-17-9-11-7-13(16)4-5-14(11)18(19)20/h1-7,17H,8-9H2.
What are the key properties of N-[(5-fluoro-2-nitrophenyl)methyl]-1-(3-fluorophenyl)methanamine?
N-[(5-fluoro-2-nitrophenyl)methyl]-1-(3-fluorophenyl)methanamine has a molecular weight of 278.26 g/mol, XLogP of 3.16, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-fluoro-2-nitrophenyl)methyl]-1-(3-fluorophenyl)methanamine is sourced from PubChem (CID 43443606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).