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

C15H15FN2O2 — CID 60704987

IUPACN-[(4-fluoro-3-methylphenyl)methyl]-1-(4-nitrophenyl)methanamine
SMILESCc1cc(CNCc2ccc([N+](=O)[O-])cc2)ccc1F
InChIInChI=1S/C15H15FN2O2/c1-11-8-13(4-7-15(11)16)10-17-9-12-2-5-14(6-3-12)18(19)20/h2-8,17H,9-10H2,1H3
InChIKeyUEZWWYMLDPCHLD-UHFFFAOYSA-N
MW274.30 g/mol
LogP3.33
Rot. Bonds5

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

N-[(4-fluoro-3-methylphenyl)methyl]-1-(4-nitrophenyl)methanamine (PubChem CID 60704987) has the molecular formula C15H15FN2O2 and a molecular weight of 274.30 g/mol. Its IUPAC name is N-[(4-fluoro-3-methylphenyl)methyl]-1-(4-nitrophenyl)methanamine.

Molecular Properties

Compound NameN-[(4-fluoro-3-methylphenyl)methyl]-1-(4-nitrophenyl)methanamine
PubChem CID60704987
Molecular FormulaC15H15FN2O2
Molecular Weight274.30 g/mol
Exact Mass274.11
IUPAC NameN-[(4-fluoro-3-methylphenyl)methyl]-1-(4-nitrophenyl)methanamine
SMILESCc1cc(CNCc2ccc([N+](=O)[O-])cc2)ccc1F
InChIInChI=1S/C15H15FN2O2/c1-11-8-13(4-7-15(11)16)10-17-9-12-2-5-14(6-3-12)18(19)20/h2-8,17H,9-10H2,1H3
InChIKeyUEZWWYMLDPCHLD-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

1-fluoro-2-methyl-4-[2-(4-nitrophenyl)ethyl]benzene
CID 71732228
N-[2-[(4-fluoro-3-methylphenyl)methylamino]ethyl]-4-nitrobenzenesulfonamide
CID 119121981
N-[(3-bromo-4-fluorophenyl)methyl]-1-(4-nitrophenyl)methanamine
CID 60876728
1-[(4-fluoro-3-methylphenyl)methyl]-2-methyl-3-[(4-nitrophenyl)methyl]guanidine;hydroiodide
CID 111853517
N-[(3,5-dimethylphenyl)methyl]-1-(4-nitrophenyl)methanamine
CID 61030106
1-(4-methylphenyl)-N-[(4-nitrophenyl)methyl]methanamine;hydrochloride
CID 17332527
N-[(3,4-difluorophenyl)methyl]-1-(4-fluoro-3-methylphenyl)methanamine
CID 55024563
2-[(4-fluoro-3-methylphenyl)methylamino]-1-(4-nitrophenyl)propane-1,3-diol
CID 111629856
N-[(2,4-dimethylphenyl)methyl]-1-(4-nitrophenyl)methanamine
CID 60875777
N-[(2,3-difluorophenyl)methyl]-1-(4-nitrophenyl)methanamine
CID 60874828
N,N-diethyl-4-[[(4-fluoro-3-methylphenyl)methylamino]methyl]benzenesulfonamide
CID 119121752
N-[(3-chloro-4-fluorophenyl)methyl]-1-(4-fluoro-3-methylphenyl)methanamine
CID 62538091

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluoro-3-methylphenyl)methyl]-1-(4-nitrophenyl)methanamine?
The IUPAC name of N-[(4-fluoro-3-methylphenyl)methyl]-1-(4-nitrophenyl)methanamine (CID 60704987) is N-[(4-fluoro-3-methylphenyl)methyl]-1-(4-nitrophenyl)methanamine.
What is the SMILES notation for N-[(4-fluoro-3-methylphenyl)methyl]-1-(4-nitrophenyl)methanamine?
The canonical SMILES for N-[(4-fluoro-3-methylphenyl)methyl]-1-(4-nitrophenyl)methanamine is Cc1cc(CNCc2ccc([N+](=O)[O-])cc2)ccc1F.
What is the InChIKey of N-[(4-fluoro-3-methylphenyl)methyl]-1-(4-nitrophenyl)methanamine?
The InChIKey is UEZWWYMLDPCHLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2O2/c1-11-8-13(4-7-15(11)16)10-17-9-12-2-5-14(6-3-12)18(19)20/h2-8,17H,9-10H2,1H3.
What are the key properties of N-[(4-fluoro-3-methylphenyl)methyl]-1-(4-nitrophenyl)methanamine?
N-[(4-fluoro-3-methylphenyl)methyl]-1-(4-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-3-methylphenyl)methyl]-1-(4-nitrophenyl)methanamine is sourced from PubChem (CID 60704987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).