4-[(4-fluorophenyl)methoxy]benzene-1,3-diamine

C13H13FN2O — CID 142729115

IUPAC4-[(4-fluorophenyl)methoxy]benzene-1,3-diamine
SMILESNc1ccc(OCc2ccc(F)cc2)c(N)c1
InChIInChI=1S/C13H13FN2O/c14-10-3-1-9(2-4-10)8-17-13-6-5-11(15)7-12(13)16/h1-7H,8,15-16H2
InChIKeyGPVOSFXCOOWRLF-UHFFFAOYSA-N
MW232.26 g/mol
LogP2.57
Rot. Bonds3

About 4-[(4-fluorophenyl)methoxy]benzene-1,3-diamine

4-[(4-fluorophenyl)methoxy]benzene-1,3-diamine (PubChem CID 142729115) has the molecular formula C13H13FN2O and a molecular weight of 232.26 g/mol. Its IUPAC name is 4-[(4-fluorophenyl)methoxy]benzene-1,3-diamine.

Molecular Properties

Compound Name4-[(4-fluorophenyl)methoxy]benzene-1,3-diamine
PubChem CID142729115
Molecular FormulaC13H13FN2O
Molecular Weight232.26 g/mol
Exact Mass232.10
IUPAC Name4-[(4-fluorophenyl)methoxy]benzene-1,3-diamine
SMILESNc1ccc(OCc2ccc(F)cc2)c(N)c1
InChIInChI=1S/C13H13FN2O/c14-10-3-1-9(2-4-10)8-17-13-6-5-11(15)7-12(13)16/h1-7H,8,15-16H2
InChIKeyGPVOSFXCOOWRLF-UHFFFAOYSA-N
XLogP2.57
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.26
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-fluorophenyl)methoxy]benzene-1,3-diamine?
The IUPAC name of 4-[(4-fluorophenyl)methoxy]benzene-1,3-diamine (CID 142729115) is 4-[(4-fluorophenyl)methoxy]benzene-1,3-diamine.
What is the SMILES notation for 4-[(4-fluorophenyl)methoxy]benzene-1,3-diamine?
The canonical SMILES for 4-[(4-fluorophenyl)methoxy]benzene-1,3-diamine is Nc1ccc(OCc2ccc(F)cc2)c(N)c1.
What is the InChIKey of 4-[(4-fluorophenyl)methoxy]benzene-1,3-diamine?
The InChIKey is GPVOSFXCOOWRLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN2O/c14-10-3-1-9(2-4-10)8-17-13-6-5-11(15)7-12(13)16/h1-7H,8,15-16H2.
What are the key properties of 4-[(4-fluorophenyl)methoxy]benzene-1,3-diamine?
4-[(4-fluorophenyl)methoxy]benzene-1,3-diamine has a molecular weight of 232.26 g/mol, XLogP of 2.57, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-fluorophenyl)methoxy]benzene-1,3-diamine is sourced from PubChem (CID 142729115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).