4-fluoro-1-N-phenylmethoxybenzene-1,2-diamine

C13H13FN2O — CID 57034862

IUPAC4-fluoro-1-N-phenylmethoxybenzene-1,2-diamine
SMILESNc1cc(F)ccc1NOCc1ccccc1
InChIInChI=1S/C13H13FN2O/c14-11-6-7-13(12(15)8-11)16-17-9-10-4-2-1-3-5-10/h1-8,16H,9,15H2
InChIKeyWZTIASRBTFGONX-UHFFFAOYSA-N
MW232.26 g/mol
LogP2.95
Rot. Bonds4

About 4-fluoro-1-N-phenylmethoxybenzene-1,2-diamine

4-fluoro-1-N-phenylmethoxybenzene-1,2-diamine (PubChem CID 57034862) has the molecular formula C13H13FN2O and a molecular weight of 232.26 g/mol. Its IUPAC name is 4-fluoro-1-N-phenylmethoxybenzene-1,2-diamine.

Molecular Properties

Compound Name4-fluoro-1-N-phenylmethoxybenzene-1,2-diamine
PubChem CID57034862
Molecular FormulaC13H13FN2O
Molecular Weight232.26 g/mol
Exact Mass232.10
IUPAC Name4-fluoro-1-N-phenylmethoxybenzene-1,2-diamine
SMILESNc1cc(F)ccc1NOCc1ccccc1
InChIInChI=1S/C13H13FN2O/c14-11-6-7-13(12(15)8-11)16-17-9-10-4-2-1-3-5-10/h1-8,16H,9,15H2
InChIKeyWZTIASRBTFGONX-UHFFFAOYSA-N
XLogP2.95
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.26
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', '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-fluoro-1-N-phenylmethoxybenzene-1,2-diamine?
The IUPAC name of 4-fluoro-1-N-phenylmethoxybenzene-1,2-diamine (CID 57034862) is 4-fluoro-1-N-phenylmethoxybenzene-1,2-diamine.
What is the SMILES notation for 4-fluoro-1-N-phenylmethoxybenzene-1,2-diamine?
The canonical SMILES for 4-fluoro-1-N-phenylmethoxybenzene-1,2-diamine is Nc1cc(F)ccc1NOCc1ccccc1.
What is the InChIKey of 4-fluoro-1-N-phenylmethoxybenzene-1,2-diamine?
The InChIKey is WZTIASRBTFGONX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN2O/c14-11-6-7-13(12(15)8-11)16-17-9-10-4-2-1-3-5-10/h1-8,16H,9,15H2.
What are the key properties of 4-fluoro-1-N-phenylmethoxybenzene-1,2-diamine?
4-fluoro-1-N-phenylmethoxybenzene-1,2-diamine has a molecular weight of 232.26 g/mol, XLogP of 2.95, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-1-N-phenylmethoxybenzene-1,2-diamine is sourced from PubChem (CID 57034862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).