4-fluoro-2-methyl-N-[(2-methyl-3-nitrophenyl)methyl]aniline

C15H15FN2O2 — CID 43509021

IUPAC4-fluoro-2-methyl-N-[(2-methyl-3-nitrophenyl)methyl]aniline
SMILESCc1cc(F)ccc1NCc1cccc([N+](=O)[O-])c1C
InChIInChI=1S/C15H15FN2O2/c1-10-8-13(16)6-7-14(10)17-9-12-4-3-5-15(11(12)2)18(19)20/h3-8,17H,9H2,1-2H3
InChIKeyWRZPAOAIOPSPQV-UHFFFAOYSA-N
MW274.30 g/mol
LogP3.96
Rot. Bonds4

About 4-fluoro-2-methyl-N-[(2-methyl-3-nitrophenyl)methyl]aniline

4-fluoro-2-methyl-N-[(2-methyl-3-nitrophenyl)methyl]aniline (PubChem CID 43509021) has the molecular formula C15H15FN2O2 and a molecular weight of 274.30 g/mol. Its IUPAC name is 4-fluoro-2-methyl-N-[(2-methyl-3-nitrophenyl)methyl]aniline.

Molecular Properties

Compound Name4-fluoro-2-methyl-N-[(2-methyl-3-nitrophenyl)methyl]aniline
PubChem CID43509021
Molecular FormulaC15H15FN2O2
Molecular Weight274.30 g/mol
Exact Mass274.11
IUPAC Name4-fluoro-2-methyl-N-[(2-methyl-3-nitrophenyl)methyl]aniline
SMILESCc1cc(F)ccc1NCc1cccc([N+](=O)[O-])c1C
InChIInChI=1S/C15H15FN2O2/c1-10-8-13(16)6-7-14(10)17-9-12-4-3-5-15(11(12)2)18(19)20/h3-8,17H,9H2,1-2H3
InChIKeyWRZPAOAIOPSPQV-UHFFFAOYSA-N
XLogP3.96
TPSA55.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.30
LogP ≤ 53.96
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

4-methoxy-2-methyl-N-[(2-methyl-3-nitrophenyl)methyl]aniline
CID 62872795
2-fluoro-N-[(2-methyl-3-nitrophenyl)methyl]aniline
CID 43509006
5-chloro-2-fluoro-N-[(2-methyl-3-nitrophenyl)methyl]aniline
CID 43509081
1-(3-fluorophenyl)-N-[(2-methyl-3-nitrophenyl)methyl]methanamine
CID 43509052
2-[(5-fluoro-2-nitroanilino)methyl]-6-methylphenol
CID 115951747
N-[(4-fluoro-2-methylphenyl)methyl]-4,5-dimethyl-2-nitroaniline
CID 63477435
3,5-dimethyl-N-[(2-methyl-3-nitrophenyl)methyl]aniline
CID 43509012
4-fluoro-2-methyl-N-[(6-nitro-1,3-benzodioxol-5-yl)methyl]aniline;oxalic acid
CID 11958704
4-fluoro-N-[(2-fluorophenyl)methyl]-2-nitroaniline
CID 43218044
2,5-difluoro-N-[(2-nitrophenyl)methyl]aniline
CID 28574528
N-[(2-methyl-3-nitrophenyl)methyl]-3-nitropyridin-4-amine
CID 103112027
N-methyl-1-(2-methyl-3-nitrophenyl)methanamine
CID 43508926

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-methyl-N-[(2-methyl-3-nitrophenyl)methyl]aniline?
The IUPAC name of 4-fluoro-2-methyl-N-[(2-methyl-3-nitrophenyl)methyl]aniline (CID 43509021) is 4-fluoro-2-methyl-N-[(2-methyl-3-nitrophenyl)methyl]aniline.
What is the SMILES notation for 4-fluoro-2-methyl-N-[(2-methyl-3-nitrophenyl)methyl]aniline?
The canonical SMILES for 4-fluoro-2-methyl-N-[(2-methyl-3-nitrophenyl)methyl]aniline is Cc1cc(F)ccc1NCc1cccc([N+](=O)[O-])c1C.
What is the InChIKey of 4-fluoro-2-methyl-N-[(2-methyl-3-nitrophenyl)methyl]aniline?
The InChIKey is WRZPAOAIOPSPQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2O2/c1-10-8-13(16)6-7-14(10)17-9-12-4-3-5-15(11(12)2)18(19)20/h3-8,17H,9H2,1-2H3.
What are the key properties of 4-fluoro-2-methyl-N-[(2-methyl-3-nitrophenyl)methyl]aniline?
4-fluoro-2-methyl-N-[(2-methyl-3-nitrophenyl)methyl]aniline has a molecular weight of 274.30 g/mol, XLogP of 3.96, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-methyl-N-[(2-methyl-3-nitrophenyl)methyl]aniline is sourced from PubChem (CID 43509021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).