[3-fluoro-4-(5-methoxy-2-nitrophenoxy)phenyl]methanamine

C14H13FN2O4 — CID 102702881

IUPAC[3-fluoro-4-(5-methoxy-2-nitrophenoxy)phenyl]methanamine
SMILESCOc1ccc([N+](=O)[O-])c(Oc2ccc(CN)cc2F)c1
InChIInChI=1S/C14H13FN2O4/c1-20-10-3-4-12(17(18)19)14(7-10)21-13-5-2-9(8-16)6-11(13)15/h2-7H,8,16H2,1H3
InChIKeyPBILHMVHKIPRTR-UHFFFAOYSA-N
MW292.27 g/mol
LogP2.99
Rot. Bonds5

About [3-fluoro-4-(5-methoxy-2-nitrophenoxy)phenyl]methanamine

[3-fluoro-4-(5-methoxy-2-nitrophenoxy)phenyl]methanamine (PubChem CID 102702881) has the molecular formula C14H13FN2O4 and a molecular weight of 292.27 g/mol. Its IUPAC name is [3-fluoro-4-(5-methoxy-2-nitrophenoxy)phenyl]methanamine.

Molecular Properties

Compound Name[3-fluoro-4-(5-methoxy-2-nitrophenoxy)phenyl]methanamine
PubChem CID102702881
Molecular FormulaC14H13FN2O4
Molecular Weight292.27 g/mol
Exact Mass292.09
IUPAC Name[3-fluoro-4-(5-methoxy-2-nitrophenoxy)phenyl]methanamine
SMILESCOc1ccc([N+](=O)[O-])c(Oc2ccc(CN)cc2F)c1
InChIInChI=1S/C14H13FN2O4/c1-20-10-3-4-12(17(18)19)14(7-10)21-13-5-2-9(8-16)6-11(13)15/h2-7H,8,16H2,1H3
InChIKeyPBILHMVHKIPRTR-UHFFFAOYSA-N
XLogP2.99
TPSA87.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.27
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze [3-fluoro-4-(5-methoxy-2-nitrophenoxy)phenyl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[3-fluoro-4-(5-methyl-2-nitrophenoxy)phenyl]methanamine
CID 61031147
[4-bromo-2-(5-methoxy-2-nitrophenoxy)phenyl]methanamine
CID 102702893
[4-(2-fluoro-5-methyl-4-nitrophenoxy)-3-methylphenyl]methanamine
CID 114417368
[3-(2-fluoro-4-nitrophenoxy)-4-methylphenyl]methanamine
CID 105407172
4-(4-chloro-2-fluorophenoxy)-2-methoxy-1-nitrobenzene
CID 131877853
2-[4-chloro-2-(chloromethyl)phenoxy]-4-methoxy-1-nitrobenzene
CID 102702832
4-(bromomethyl)-1-(5-chloro-2-nitrophenoxy)-2-fluorobenzene
CID 107088334
[3-[(3-methoxyphenyl)methoxy]-4-nitrophenyl]methanamine
CID 62116037
4-(bromomethyl)-2-fluoro-1-(3-fluoro-4-nitrophenoxy)benzene
CID 107088215
3-methoxy-4-(5-methoxy-2-nitrophenoxy)phenol
CID 163522418
2-(2,4-dibromophenoxy)-4-methoxy-1-nitrobenzene
CID 18406541
[4-(2-chloro-5-nitrophenoxy)-3-fluorophenyl]methanamine
CID 63992772

Frequently Asked Questions

What is the IUPAC name of [3-fluoro-4-(5-methoxy-2-nitrophenoxy)phenyl]methanamine?
The IUPAC name of [3-fluoro-4-(5-methoxy-2-nitrophenoxy)phenyl]methanamine (CID 102702881) is [3-fluoro-4-(5-methoxy-2-nitrophenoxy)phenyl]methanamine.
What is the SMILES notation for [3-fluoro-4-(5-methoxy-2-nitrophenoxy)phenyl]methanamine?
The canonical SMILES for [3-fluoro-4-(5-methoxy-2-nitrophenoxy)phenyl]methanamine is COc1ccc([N+](=O)[O-])c(Oc2ccc(CN)cc2F)c1.
What is the InChIKey of [3-fluoro-4-(5-methoxy-2-nitrophenoxy)phenyl]methanamine?
The InChIKey is PBILHMVHKIPRTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN2O4/c1-20-10-3-4-12(17(18)19)14(7-10)21-13-5-2-9(8-16)6-11(13)15/h2-7H,8,16H2,1H3.
What are the key properties of [3-fluoro-4-(5-methoxy-2-nitrophenoxy)phenyl]methanamine?
[3-fluoro-4-(5-methoxy-2-nitrophenoxy)phenyl]methanamine has a molecular weight of 292.27 g/mol, XLogP of 2.99, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-fluoro-4-(5-methoxy-2-nitrophenoxy)phenyl]methanamine is sourced from PubChem (CID 102702881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).