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

C15H15FN2O3 — CID 43212586

IUPAC4-fluoro-N-[(2-methoxy-5-nitrophenyl)methyl]-2-methylaniline
SMILESCOc1ccc([N+](=O)[O-])cc1CNc1ccc(F)cc1C
InChIInChI=1S/C15H15FN2O3/c1-10-7-12(16)3-5-14(10)17-9-11-8-13(18(19)20)4-6-15(11)21-2/h3-8,17H,9H2,1-2H3
InChIKeyMWKOELFKNZBKAV-UHFFFAOYSA-N
MW290.29 g/mol
LogP3.66
Rot. Bonds5

About 4-fluoro-N-[(2-methoxy-5-nitrophenyl)methyl]-2-methylaniline

4-fluoro-N-[(2-methoxy-5-nitrophenyl)methyl]-2-methylaniline (PubChem CID 43212586) has the molecular formula C15H15FN2O3 and a molecular weight of 290.29 g/mol. Its IUPAC name is 4-fluoro-N-[(2-methoxy-5-nitrophenyl)methyl]-2-methylaniline.

Molecular Properties

Compound Name4-fluoro-N-[(2-methoxy-5-nitrophenyl)methyl]-2-methylaniline
PubChem CID43212586
Molecular FormulaC15H15FN2O3
Molecular Weight290.29 g/mol
Exact Mass290.11
IUPAC Name4-fluoro-N-[(2-methoxy-5-nitrophenyl)methyl]-2-methylaniline
SMILESCOc1ccc([N+](=O)[O-])cc1CNc1ccc(F)cc1C
InChIInChI=1S/C15H15FN2O3/c1-10-7-12(16)3-5-14(10)17-9-11-8-13(18(19)20)4-6-15(11)21-2/h3-8,17H,9H2,1-2H3
InChIKeyMWKOELFKNZBKAV-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

2,5-difluoro-N-[(2-methoxy-5-nitrophenyl)methyl]aniline
CID 43212590
N-[(2,5-difluorophenyl)methyl]-2-methoxy-5-nitroaniline
CID 791677
5-chloro-2-fluoro-N-[(2-methoxy-5-nitrophenyl)methyl]aniline
CID 43385720
2,4-dibromo-N-[(2-methoxy-5-nitrophenyl)methyl]aniline
CID 63492407
N-[(2-methoxy-5-nitrophenyl)methyl]-3,5-dimethylaniline
CID 43212565
N-methoxy-1-(2-methoxy-5-nitrophenyl)methanamine
CID 60702867
N-[(5-bromo-2,4-dimethoxyphenyl)methyl]-2-methyl-4-nitroaniline;oxalic acid
CID 17367872
2-methyl-4-nitro-N-[(3,4,5-trimethoxyphenyl)methyl]aniline
CID 71894202
N-[(2-chloro-5-nitrophenyl)methyl]-4-methoxy-2-methylaniline
CID 62868027
N-[(5-bromo-2,4-dimethoxyphenyl)methyl]-4-fluoro-2-methylaniline
CID 1115738
N-[(2-fluorophenyl)methyl]-2-methoxy-5-nitroaniline
CID 792668
2-bromo-N-[(2-methoxyphenyl)methyl]-4-nitroaniline
CID 43742233

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[(2-methoxy-5-nitrophenyl)methyl]-2-methylaniline?
The IUPAC name of 4-fluoro-N-[(2-methoxy-5-nitrophenyl)methyl]-2-methylaniline (CID 43212586) is 4-fluoro-N-[(2-methoxy-5-nitrophenyl)methyl]-2-methylaniline.
What is the SMILES notation for 4-fluoro-N-[(2-methoxy-5-nitrophenyl)methyl]-2-methylaniline?
The canonical SMILES for 4-fluoro-N-[(2-methoxy-5-nitrophenyl)methyl]-2-methylaniline is COc1ccc([N+](=O)[O-])cc1CNc1ccc(F)cc1C.
What is the InChIKey of 4-fluoro-N-[(2-methoxy-5-nitrophenyl)methyl]-2-methylaniline?
The InChIKey is MWKOELFKNZBKAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2O3/c1-10-7-12(16)3-5-14(10)17-9-11-8-13(18(19)20)4-6-15(11)21-2/h3-8,17H,9H2,1-2H3.
What are the key properties of 4-fluoro-N-[(2-methoxy-5-nitrophenyl)methyl]-2-methylaniline?
4-fluoro-N-[(2-methoxy-5-nitrophenyl)methyl]-2-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 4-fluoro-N-[(2-methoxy-5-nitrophenyl)methyl]-2-methylaniline is sourced from PubChem (CID 43212586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).