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

C14H13FN2O2 — CID 791676

IUPAC4-fluoro-2-methyl-N-[(4-nitrophenyl)methyl]aniline
SMILESCc1cc(F)ccc1NCc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C14H13FN2O2/c1-10-8-12(15)4-7-14(10)16-9-11-2-5-13(6-3-11)17(18)19/h2-8,16H,9H2,1H3
InChIKeyHOKFYGNOWFBTBO-UHFFFAOYSA-N
MW260.27 g/mol
LogP3.65
Rot. Bonds4

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

4-fluoro-2-methyl-N-[(4-nitrophenyl)methyl]aniline (PubChem CID 791676) has the molecular formula C14H13FN2O2 and a molecular weight of 260.27 g/mol. Its IUPAC name is 4-fluoro-2-methyl-N-[(4-nitrophenyl)methyl]aniline.

Molecular Properties

Compound Name4-fluoro-2-methyl-N-[(4-nitrophenyl)methyl]aniline
PubChem CID791676
Molecular FormulaC14H13FN2O2
Molecular Weight260.27 g/mol
Exact Mass260.10
IUPAC Name4-fluoro-2-methyl-N-[(4-nitrophenyl)methyl]aniline
SMILESCc1cc(F)ccc1NCc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C14H13FN2O2/c1-10-8-12(15)4-7-14(10)16-9-11-2-5-13(6-3-11)17(18)19/h2-8,16H,9H2,1H3
InChIKeyHOKFYGNOWFBTBO-UHFFFAOYSA-N
XLogP3.65
TPSA55.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.27
LogP ≤ 53.65
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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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-methyl-N-[(4-nitrophenyl)methyl]aniline?
The IUPAC name of 4-fluoro-2-methyl-N-[(4-nitrophenyl)methyl]aniline (CID 791676) is 4-fluoro-2-methyl-N-[(4-nitrophenyl)methyl]aniline.
What is the SMILES notation for 4-fluoro-2-methyl-N-[(4-nitrophenyl)methyl]aniline?
The canonical SMILES for 4-fluoro-2-methyl-N-[(4-nitrophenyl)methyl]aniline is Cc1cc(F)ccc1NCc1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 4-fluoro-2-methyl-N-[(4-nitrophenyl)methyl]aniline?
The InChIKey is HOKFYGNOWFBTBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN2O2/c1-10-8-12(15)4-7-14(10)16-9-11-2-5-13(6-3-11)17(18)19/h2-8,16H,9H2,1H3.
What are the key properties of 4-fluoro-2-methyl-N-[(4-nitrophenyl)methyl]aniline?
4-fluoro-2-methyl-N-[(4-nitrophenyl)methyl]aniline has a molecular weight of 260.27 g/mol, XLogP of 3.65, 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-[(4-nitrophenyl)methyl]aniline is sourced from PubChem (CID 791676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).