N-(3-fluorophenyl)-4H-3,1-benzoxazin-2-amine

C14H11FN2O — CID 164666448

IUPACN-(3-fluorophenyl)-4H-3,1-benzoxazin-2-amine
SMILESFc1cccc(NC2=Nc3ccccc3CO2)c1
InChIInChI=1S/C14H11FN2O/c15-11-5-3-6-12(8-11)16-14-17-13-7-2-1-4-10(13)9-18-14/h1-8H,9H2,(H,16,17)
InChIKeyNJJKIOBHKVZNDL-UHFFFAOYSA-N
MW242.25 g/mol
LogP3.46
Rot. Bonds1

About N-(3-fluorophenyl)-4H-3,1-benzoxazin-2-amine

N-(3-fluorophenyl)-4H-3,1-benzoxazin-2-amine (PubChem CID 164666448) has the molecular formula C14H11FN2O and a molecular weight of 242.25 g/mol. Its IUPAC name is N-(3-fluorophenyl)-4H-3,1-benzoxazin-2-amine.

Molecular Properties

Compound NameN-(3-fluorophenyl)-4H-3,1-benzoxazin-2-amine
PubChem CID164666448
Molecular FormulaC14H11FN2O
Molecular Weight242.25 g/mol
Exact Mass242.09
IUPAC NameN-(3-fluorophenyl)-4H-3,1-benzoxazin-2-amine
SMILESFc1cccc(NC2=Nc3ccccc3CO2)c1
InChIInChI=1S/C14H11FN2O/c15-11-5-3-6-12(8-11)16-14-17-13-7-2-1-4-10(13)9-18-14/h1-8H,9H2,(H,16,17)
InChIKeyNJJKIOBHKVZNDL-UHFFFAOYSA-N
XLogP3.46
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.25
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-4H-3,1-benzoxazin-2-amine?
The IUPAC name of N-(3-fluorophenyl)-4H-3,1-benzoxazin-2-amine (CID 164666448) is N-(3-fluorophenyl)-4H-3,1-benzoxazin-2-amine.
What is the SMILES notation for N-(3-fluorophenyl)-4H-3,1-benzoxazin-2-amine?
The canonical SMILES for N-(3-fluorophenyl)-4H-3,1-benzoxazin-2-amine is Fc1cccc(NC2=Nc3ccccc3CO2)c1.
What is the InChIKey of N-(3-fluorophenyl)-4H-3,1-benzoxazin-2-amine?
The InChIKey is NJJKIOBHKVZNDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FN2O/c15-11-5-3-6-12(8-11)16-14-17-13-7-2-1-4-10(13)9-18-14/h1-8H,9H2,(H,16,17).
What are the key properties of N-(3-fluorophenyl)-4H-3,1-benzoxazin-2-amine?
N-(3-fluorophenyl)-4H-3,1-benzoxazin-2-amine has a molecular weight of 242.25 g/mol, XLogP of 3.46, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-4H-3,1-benzoxazin-2-amine is sourced from PubChem (CID 164666448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).