N-[(5-fluoro-2-nitrophenyl)methyl]-2-methoxy-5-methylaniline

C15H15FN2O3 — CID 43443545

IUPACN-[(5-fluoro-2-nitrophenyl)methyl]-2-methoxy-5-methylaniline
SMILESCOc1ccc(C)cc1NCc1cc(F)ccc1[N+](=O)[O-]
InChIInChI=1S/C15H15FN2O3/c1-10-3-6-15(21-2)13(7-10)17-9-11-8-12(16)4-5-14(11)18(19)20/h3-8,17H,9H2,1-2H3
InChIKeyDIJGOMQUMJQFRX-UHFFFAOYSA-N
MW290.29 g/mol
LogP3.66
Rot. Bonds5

About N-[(5-fluoro-2-nitrophenyl)methyl]-2-methoxy-5-methylaniline

N-[(5-fluoro-2-nitrophenyl)methyl]-2-methoxy-5-methylaniline (PubChem CID 43443545) has the molecular formula C15H15FN2O3 and a molecular weight of 290.29 g/mol. Its IUPAC name is N-[(5-fluoro-2-nitrophenyl)methyl]-2-methoxy-5-methylaniline.

Molecular Properties

Compound NameN-[(5-fluoro-2-nitrophenyl)methyl]-2-methoxy-5-methylaniline
PubChem CID43443545
Molecular FormulaC15H15FN2O3
Molecular Weight290.29 g/mol
Exact Mass290.11
IUPAC NameN-[(5-fluoro-2-nitrophenyl)methyl]-2-methoxy-5-methylaniline
SMILESCOc1ccc(C)cc1NCc1cc(F)ccc1[N+](=O)[O-]
InChIInChI=1S/C15H15FN2O3/c1-10-3-6-15(21-2)13(7-10)17-9-11-8-12(16)4-5-14(11)18(19)20/h3-8,17H,9H2,1-2H3
InChIKeyDIJGOMQUMJQFRX-UHFFFAOYSA-N
XLogP3.66
TPSA64.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.29
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

2-chloro-N-[(5-fluoro-2-nitrophenyl)methyl]-4-methylaniline
CID 43443603
N-[(2-chloro-4-fluorophenyl)methyl]-2-methoxy-5-methylaniline
CID 29034748
N-[(2,5-difluorophenyl)methyl]-2-methoxy-5-nitroaniline
CID 791677
N-[(2-fluoro-5-methylphenyl)methyl]-2-methoxy-5-methylaniline
CID 103818113
4-fluoro-N-[(5-fluoro-2-nitrophenyl)methyl]aniline
CID 43443560
N-[(5-fluoro-2-nitrophenyl)methyl]-2,6-dimethylaniline
CID 62332074
2-methoxy-5-methyl-N-[(5-nitrofuran-2-yl)methyl]aniline
CID 43761092
5-methyl-2-nitro-N-[(2,4,5-trimethylphenyl)methyl]aniline
CID 115912414
4-fluoro-N-[(2-methoxy-5-nitrophenyl)methyl]-2-methylaniline
CID 43212586
N-[(5-fluoro-2-nitrophenyl)methyl]-2-iodoaniline
CID 43443611
2-bromo-1-[(5-fluoro-2-nitrophenyl)methoxy]-4-methylbenzene
CID 43443648
3-[(5-fluoro-2-nitrophenyl)methylamino]-4-methylbenzonitrile
CID 62105041

Frequently Asked Questions

What is the IUPAC name of N-[(5-fluoro-2-nitrophenyl)methyl]-2-methoxy-5-methylaniline?
The IUPAC name of N-[(5-fluoro-2-nitrophenyl)methyl]-2-methoxy-5-methylaniline (CID 43443545) is N-[(5-fluoro-2-nitrophenyl)methyl]-2-methoxy-5-methylaniline.
What is the SMILES notation for N-[(5-fluoro-2-nitrophenyl)methyl]-2-methoxy-5-methylaniline?
The canonical SMILES for N-[(5-fluoro-2-nitrophenyl)methyl]-2-methoxy-5-methylaniline is COc1ccc(C)cc1NCc1cc(F)ccc1[N+](=O)[O-].
What is the InChIKey of N-[(5-fluoro-2-nitrophenyl)methyl]-2-methoxy-5-methylaniline?
The InChIKey is DIJGOMQUMJQFRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2O3/c1-10-3-6-15(21-2)13(7-10)17-9-11-8-12(16)4-5-14(11)18(19)20/h3-8,17H,9H2,1-2H3.
What are the key properties of N-[(5-fluoro-2-nitrophenyl)methyl]-2-methoxy-5-methylaniline?
N-[(5-fluoro-2-nitrophenyl)methyl]-2-methoxy-5-methylaniline has a molecular weight of 290.29 g/mol, XLogP of 3.66, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-fluoro-2-nitrophenyl)methyl]-2-methoxy-5-methylaniline is sourced from PubChem (CID 43443545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).