[4-(2-fluoro-5-methyl-4-nitrophenoxy)-3-methylphenyl]methanamine

C15H15FN2O3 — CID 114417368

IUPAC[4-(2-fluoro-5-methyl-4-nitrophenoxy)-3-methylphenyl]methanamine
SMILESCc1cc(CN)ccc1Oc1cc(C)c([N+](=O)[O-])cc1F
InChIInChI=1S/C15H15FN2O3/c1-9-6-15(12(16)7-13(9)18(19)20)21-14-4-3-11(8-17)5-10(14)2/h3-7H,8,17H2,1-2H3
InChIKeyCPKLJABMLIMYJS-UHFFFAOYSA-N
MW290.29 g/mol
LogP3.60
Rot. Bonds4

About [4-(2-fluoro-5-methyl-4-nitrophenoxy)-3-methylphenyl]methanamine

[4-(2-fluoro-5-methyl-4-nitrophenoxy)-3-methylphenyl]methanamine (PubChem CID 114417368) has the molecular formula C15H15FN2O3 and a molecular weight of 290.29 g/mol. Its IUPAC name is [4-(2-fluoro-5-methyl-4-nitrophenoxy)-3-methylphenyl]methanamine.

Molecular Properties

Compound Name[4-(2-fluoro-5-methyl-4-nitrophenoxy)-3-methylphenyl]methanamine
PubChem CID114417368
Molecular FormulaC15H15FN2O3
Molecular Weight290.29 g/mol
Exact Mass290.11
IUPAC Name[4-(2-fluoro-5-methyl-4-nitrophenoxy)-3-methylphenyl]methanamine
SMILESCc1cc(CN)ccc1Oc1cc(C)c([N+](=O)[O-])cc1F
InChIInChI=1S/C15H15FN2O3/c1-9-6-15(12(16)7-13(9)18(19)20)21-14-4-3-11(8-17)5-10(14)2/h3-7H,8,17H2,1-2H3
InChIKeyCPKLJABMLIMYJS-UHFFFAOYSA-N
XLogP3.60
TPSA78.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.29
LogP ≤ 53.60
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

[3-fluoro-4-(5-methyl-2-nitrophenoxy)phenyl]methanamine
CID 61031147
1-[4-(bromomethyl)-2-fluorophenoxy]-2,5-dimethyl-4-nitrobenzene
CID 107088452
[2-chloro-6-(2-fluoro-5-methyl-4-nitrophenoxy)phenyl]methanamine
CID 114417401
[4-bromo-2-(2-fluoro-5-methyl-4-nitrophenoxy)phenyl]methanamine
CID 114417321
[4-(2,4-dimethyl-6-nitrophenoxy)-3-methylphenyl]methanamine
CID 62124219
[4-(2,5-dimethyl-4-nitrophenoxy)-3-methylphenyl]methanol
CID 63184821
[3-(2-fluoro-4-nitrophenoxy)-4-methylphenyl]methanamine
CID 105407172
[3-methyl-4-(3-methyl-2-nitrophenoxy)phenyl]methanamine
CID 62125464
[3-fluoro-4-(5-methoxy-2-nitrophenoxy)phenyl]methanamine
CID 102702881
(4-methyl-3-nitrophenyl)methanamine
CID 18468134
[4-(2,4-dimethylphenoxy)-3-fluorophenyl]methanamine
CID 28966023
2-(2-fluoro-5-methyl-4-nitrophenoxy)-5-methylbenzonitrile
CID 107928265

Frequently Asked Questions

What is the IUPAC name of [4-(2-fluoro-5-methyl-4-nitrophenoxy)-3-methylphenyl]methanamine?
The IUPAC name of [4-(2-fluoro-5-methyl-4-nitrophenoxy)-3-methylphenyl]methanamine (CID 114417368) is [4-(2-fluoro-5-methyl-4-nitrophenoxy)-3-methylphenyl]methanamine.
What is the SMILES notation for [4-(2-fluoro-5-methyl-4-nitrophenoxy)-3-methylphenyl]methanamine?
The canonical SMILES for [4-(2-fluoro-5-methyl-4-nitrophenoxy)-3-methylphenyl]methanamine is Cc1cc(CN)ccc1Oc1cc(C)c([N+](=O)[O-])cc1F.
What is the InChIKey of [4-(2-fluoro-5-methyl-4-nitrophenoxy)-3-methylphenyl]methanamine?
The InChIKey is CPKLJABMLIMYJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2O3/c1-9-6-15(12(16)7-13(9)18(19)20)21-14-4-3-11(8-17)5-10(14)2/h3-7H,8,17H2,1-2H3.
What are the key properties of [4-(2-fluoro-5-methyl-4-nitrophenoxy)-3-methylphenyl]methanamine?
[4-(2-fluoro-5-methyl-4-nitrophenoxy)-3-methylphenyl]methanamine has a molecular weight of 290.29 g/mol, XLogP of 3.60, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-fluoro-5-methyl-4-nitrophenoxy)-3-methylphenyl]methanamine is sourced from PubChem (CID 114417368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).