N-[(4-fluoro-2-methylphenyl)methyl]-1-(3-nitrophenyl)methanamine

C15H15FN2O2 — CID 62503677

IUPACN-[(4-fluoro-2-methylphenyl)methyl]-1-(3-nitrophenyl)methanamine
SMILESCc1cc(F)ccc1CNCc1cccc([N+](=O)[O-])c1
InChIInChI=1S/C15H15FN2O2/c1-11-7-14(16)6-5-13(11)10-17-9-12-3-2-4-15(8-12)18(19)20/h2-8,17H,9-10H2,1H3
InChIKeyAXBKLESZORTABY-UHFFFAOYSA-N
MW274.30 g/mol
LogP3.33
Rot. Bonds5

About N-[(4-fluoro-2-methylphenyl)methyl]-1-(3-nitrophenyl)methanamine

N-[(4-fluoro-2-methylphenyl)methyl]-1-(3-nitrophenyl)methanamine (PubChem CID 62503677) has the molecular formula C15H15FN2O2 and a molecular weight of 274.30 g/mol. Its IUPAC name is N-[(4-fluoro-2-methylphenyl)methyl]-1-(3-nitrophenyl)methanamine.

Molecular Properties

Compound NameN-[(4-fluoro-2-methylphenyl)methyl]-1-(3-nitrophenyl)methanamine
PubChem CID62503677
Molecular FormulaC15H15FN2O2
Molecular Weight274.30 g/mol
Exact Mass274.11
IUPAC NameN-[(4-fluoro-2-methylphenyl)methyl]-1-(3-nitrophenyl)methanamine
SMILESCc1cc(F)ccc1CNCc1cccc([N+](=O)[O-])c1
InChIInChI=1S/C15H15FN2O2/c1-11-7-14(16)6-5-13(11)10-17-9-12-3-2-4-15(8-12)18(19)20/h2-8,17H,9-10H2,1H3
InChIKeyAXBKLESZORTABY-UHFFFAOYSA-N
XLogP3.33
TPSA55.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.30
LogP ≤ 53.33
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-[(2-bromo-5-fluorophenyl)methyl]-1-(3-nitrophenyl)methanamine
CID 60962410
N-[(2-fluoro-3-methoxyphenyl)methyl]-1-(3-nitrophenyl)methanamine
CID 104791766
N-[(5-chloro-2-fluorophenyl)methyl]-1-(3-nitrophenyl)methanamine
CID 115762160
N-[(2-chloro-3-fluorophenyl)methyl]-1-(3-nitrophenyl)methanamine
CID 115982839
[2-[[(3-nitrophenyl)methylamino]methyl]phenyl]methanol
CID 110906061
N-[(5-fluoro-2-nitrophenyl)methyl]-1-(3-fluorophenyl)methanamine
CID 43443606
N-[(2-bromophenyl)methyl]-1-(3-nitrophenyl)methanamine
CID 61401551
1-(3-fluorophenyl)-N-[(2-methyl-3-nitrophenyl)methyl]methanamine
CID 43509052
N-[(5-methylfuran-2-yl)methyl]-1-(3-nitrophenyl)methanamine
CID 62504349
2,6-dimethyl-N-[(3-nitrophenyl)methyl]aniline
CID 60688842
N-[(2,4-dimethylphenyl)methyl]-1-(4-nitrophenyl)methanamine
CID 60875777
5-fluoro-2-nitro-N-[(3-nitrophenyl)methyl]aniline
CID 62504025

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluoro-2-methylphenyl)methyl]-1-(3-nitrophenyl)methanamine?
The IUPAC name of N-[(4-fluoro-2-methylphenyl)methyl]-1-(3-nitrophenyl)methanamine (CID 62503677) is N-[(4-fluoro-2-methylphenyl)methyl]-1-(3-nitrophenyl)methanamine.
What is the SMILES notation for N-[(4-fluoro-2-methylphenyl)methyl]-1-(3-nitrophenyl)methanamine?
The canonical SMILES for N-[(4-fluoro-2-methylphenyl)methyl]-1-(3-nitrophenyl)methanamine is Cc1cc(F)ccc1CNCc1cccc([N+](=O)[O-])c1.
What is the InChIKey of N-[(4-fluoro-2-methylphenyl)methyl]-1-(3-nitrophenyl)methanamine?
The InChIKey is AXBKLESZORTABY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2O2/c1-11-7-14(16)6-5-13(11)10-17-9-12-3-2-4-15(8-12)18(19)20/h2-8,17H,9-10H2,1H3.
What are the key properties of N-[(4-fluoro-2-methylphenyl)methyl]-1-(3-nitrophenyl)methanamine?
N-[(4-fluoro-2-methylphenyl)methyl]-1-(3-nitrophenyl)methanamine has a molecular weight of 274.30 g/mol, XLogP of 3.33, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluoro-2-methylphenyl)methyl]-1-(3-nitrophenyl)methanamine is sourced from PubChem (CID 62503677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).