[2-[(3-fluoro-4-nitrophenyl)methoxy]-3-methylphenyl]methanamine

C15H15FN2O3 — CID 115951857

IUPAC[2-[(3-fluoro-4-nitrophenyl)methoxy]-3-methylphenyl]methanamine
SMILESCc1cccc(CN)c1OCc1ccc([N+](=O)[O-])c(F)c1
InChIInChI=1S/C15H15FN2O3/c1-10-3-2-4-12(8-17)15(10)21-9-11-5-6-14(18(19)20)13(16)7-11/h2-7H,8-9,17H2,1H3
InChIKeyVBVMJHSFHNZOGK-UHFFFAOYSA-N
MW290.29 g/mol
LogP3.08
Rot. Bonds5

About [2-[(3-fluoro-4-nitrophenyl)methoxy]-3-methylphenyl]methanamine

[2-[(3-fluoro-4-nitrophenyl)methoxy]-3-methylphenyl]methanamine (PubChem CID 115951857) has the molecular formula C15H15FN2O3 and a molecular weight of 290.29 g/mol. Its IUPAC name is [2-[(3-fluoro-4-nitrophenyl)methoxy]-3-methylphenyl]methanamine.

Molecular Properties

Compound Name[2-[(3-fluoro-4-nitrophenyl)methoxy]-3-methylphenyl]methanamine
PubChem CID115951857
Molecular FormulaC15H15FN2O3
Molecular Weight290.29 g/mol
Exact Mass290.11
IUPAC Name[2-[(3-fluoro-4-nitrophenyl)methoxy]-3-methylphenyl]methanamine
SMILESCc1cccc(CN)c1OCc1ccc([N+](=O)[O-])c(F)c1
InChIInChI=1S/C15H15FN2O3/c1-10-3-2-4-12(8-17)15(10)21-9-11-5-6-14(18(19)20)13(16)7-11/h2-7H,8-9,17H2,1H3
InChIKeyVBVMJHSFHNZOGK-UHFFFAOYSA-N
XLogP3.08
TPSA78.39 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 ≤ 53.08
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-chloro-2-[(3-fluoro-4-nitrophenyl)methoxy]phenyl]methanamine
CID 115951977
1-chloro-3-fluoro-2-[(3-fluoro-4-nitrophenyl)methoxy]benzene
CID 83051816
3-[[2-(aminomethyl)-6-methylphenoxy]methyl]phenol
CID 112607358
2-[(4-chloro-3-nitrophenyl)methoxy]-1,3-dimethylbenzene
CID 43350369
2-[2-[(3-bromo-4-fluorophenyl)methoxy]-3-methylphenyl]ethanamine
CID 115957662
1-(chloromethyl)-2-[(5-fluoro-2-nitrophenyl)methoxy]-3-methylbenzene
CID 115956495
[2-[(4-bromo-2-fluorophenyl)methoxy]-3-methylphenyl]methanamine
CID 112607529
[3,5-difluoro-4-[(2-nitrophenyl)methoxy]phenyl]methanamine
CID 79880994
[2-[(4-tert-butylphenyl)methoxy]-3-methylphenyl]methanamine
CID 115951807
[2-[(2,4-difluorophenyl)methoxy]-3-methylphenyl]methanamine
CID 112607460
4-[(4-bromophenoxy)methyl]-2-fluoro-1-nitrobenzene
CID 79022269
[5-[(2-fluoro-3-methylphenoxy)methyl]-2-nitrophenyl]hydrazine
CID 107660728

Frequently Asked Questions

What is the IUPAC name of [2-[(3-fluoro-4-nitrophenyl)methoxy]-3-methylphenyl]methanamine?
The IUPAC name of [2-[(3-fluoro-4-nitrophenyl)methoxy]-3-methylphenyl]methanamine (CID 115951857) is [2-[(3-fluoro-4-nitrophenyl)methoxy]-3-methylphenyl]methanamine.
What is the SMILES notation for [2-[(3-fluoro-4-nitrophenyl)methoxy]-3-methylphenyl]methanamine?
The canonical SMILES for [2-[(3-fluoro-4-nitrophenyl)methoxy]-3-methylphenyl]methanamine is Cc1cccc(CN)c1OCc1ccc([N+](=O)[O-])c(F)c1.
What is the InChIKey of [2-[(3-fluoro-4-nitrophenyl)methoxy]-3-methylphenyl]methanamine?
The InChIKey is VBVMJHSFHNZOGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2O3/c1-10-3-2-4-12(8-17)15(10)21-9-11-5-6-14(18(19)20)13(16)7-11/h2-7H,8-9,17H2,1H3.
What are the key properties of [2-[(3-fluoro-4-nitrophenyl)methoxy]-3-methylphenyl]methanamine?
[2-[(3-fluoro-4-nitrophenyl)methoxy]-3-methylphenyl]methanamine has a molecular weight of 290.29 g/mol, XLogP of 3.08, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(3-fluoro-4-nitrophenyl)methoxy]-3-methylphenyl]methanamine is sourced from PubChem (CID 115951857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).