(4-fluorophenyl)-(2-methoxy-5-nitrophenyl)methanamine

C14H13FN2O3 — CID 43825595

IUPAC(4-fluorophenyl)-(2-methoxy-5-nitrophenyl)methanamine
SMILESCOc1ccc([N+](=O)[O-])cc1C(N)c1ccc(F)cc1
InChIInChI=1S/C14H13FN2O3/c1-20-13-7-6-11(17(18)19)8-12(13)14(16)9-2-4-10(15)5-3-9/h2-8,14H,16H2,1H3
InChIKeyWXNXVPOAGDBKSM-UHFFFAOYSA-N
MW276.27 g/mol
LogP2.79
Rot. Bonds4

About (4-fluorophenyl)-(2-methoxy-5-nitrophenyl)methanamine

(4-fluorophenyl)-(2-methoxy-5-nitrophenyl)methanamine (PubChem CID 43825595) has the molecular formula C14H13FN2O3 and a molecular weight of 276.27 g/mol. Its IUPAC name is (4-fluorophenyl)-(2-methoxy-5-nitrophenyl)methanamine.

Molecular Properties

Compound Name(4-fluorophenyl)-(2-methoxy-5-nitrophenyl)methanamine
PubChem CID43825595
Molecular FormulaC14H13FN2O3
Molecular Weight276.27 g/mol
Exact Mass276.09
IUPAC Name(4-fluorophenyl)-(2-methoxy-5-nitrophenyl)methanamine
SMILESCOc1ccc([N+](=O)[O-])cc1C(N)c1ccc(F)cc1
InChIInChI=1S/C14H13FN2O3/c1-20-13-7-6-11(17(18)19)8-12(13)14(16)9-2-4-10(15)5-3-9/h2-8,14H,16H2,1H3
InChIKeyWXNXVPOAGDBKSM-UHFFFAOYSA-N
XLogP2.79
TPSA78.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.27
LogP ≤ 52.79
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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Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl)-(2-methoxy-5-nitrophenyl)methanamine?
The IUPAC name of (4-fluorophenyl)-(2-methoxy-5-nitrophenyl)methanamine (CID 43825595) is (4-fluorophenyl)-(2-methoxy-5-nitrophenyl)methanamine.
What is the SMILES notation for (4-fluorophenyl)-(2-methoxy-5-nitrophenyl)methanamine?
The canonical SMILES for (4-fluorophenyl)-(2-methoxy-5-nitrophenyl)methanamine is COc1ccc([N+](=O)[O-])cc1C(N)c1ccc(F)cc1.
What is the InChIKey of (4-fluorophenyl)-(2-methoxy-5-nitrophenyl)methanamine?
The InChIKey is WXNXVPOAGDBKSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN2O3/c1-20-13-7-6-11(17(18)19)8-12(13)14(16)9-2-4-10(15)5-3-9/h2-8,14H,16H2,1H3.
What are the key properties of (4-fluorophenyl)-(2-methoxy-5-nitrophenyl)methanamine?
(4-fluorophenyl)-(2-methoxy-5-nitrophenyl)methanamine has a molecular weight of 276.27 g/mol, XLogP of 2.79, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl)-(2-methoxy-5-nitrophenyl)methanamine is sourced from PubChem (CID 43825595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).