1-(6-fluoro-2,2-dimethyl-3H-1,4-benzoxazin-4-yl)-2-methylpropan-2-amine

C14H21FN2O — CID 82143186

IUPAC1-(6-fluoro-2,2-dimethyl-3H-1,4-benzoxazin-4-yl)-2-methylpropan-2-amine
SMILESCC(C)(N)CN1CC(C)(C)Oc2ccc(F)cc21
InChIInChI=1S/C14H21FN2O/c1-13(2,16)8-17-9-14(3,4)18-12-6-5-10(15)7-11(12)17/h5-7H,8-9,16H2,1-4H3
InChIKeyHJLGSZNNPNARQE-UHFFFAOYSA-N
MW252.33 g/mol
LogP2.54
Rot. Bonds2

About 1-(6-fluoro-2,2-dimethyl-3H-1,4-benzoxazin-4-yl)-2-methylpropan-2-amine

1-(6-fluoro-2,2-dimethyl-3H-1,4-benzoxazin-4-yl)-2-methylpropan-2-amine (PubChem CID 82143186) has the molecular formula C14H21FN2O and a molecular weight of 252.33 g/mol. Its IUPAC name is 1-(6-fluoro-2,2-dimethyl-3H-1,4-benzoxazin-4-yl)-2-methylpropan-2-amine.

Molecular Properties

Compound Name1-(6-fluoro-2,2-dimethyl-3H-1,4-benzoxazin-4-yl)-2-methylpropan-2-amine
PubChem CID82143186
Molecular FormulaC14H21FN2O
Molecular Weight252.33 g/mol
Exact Mass252.16
IUPAC Name1-(6-fluoro-2,2-dimethyl-3H-1,4-benzoxazin-4-yl)-2-methylpropan-2-amine
SMILESCC(C)(N)CN1CC(C)(C)Oc2ccc(F)cc21
InChIInChI=1S/C14H21FN2O/c1-13(2,16)8-17-9-14(3,4)18-12-6-5-10(15)7-11(12)17/h5-7H,8-9,16H2,1-4H3
InChIKeyHJLGSZNNPNARQE-UHFFFAOYSA-N
XLogP2.54
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.33
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(6-fluoro-2,2-dimethyl-3H-1,4-benzoxazin-4-yl)-2-methylpropan-2-amine?
The IUPAC name of 1-(6-fluoro-2,2-dimethyl-3H-1,4-benzoxazin-4-yl)-2-methylpropan-2-amine (CID 82143186) is 1-(6-fluoro-2,2-dimethyl-3H-1,4-benzoxazin-4-yl)-2-methylpropan-2-amine.
What is the SMILES notation for 1-(6-fluoro-2,2-dimethyl-3H-1,4-benzoxazin-4-yl)-2-methylpropan-2-amine?
The canonical SMILES for 1-(6-fluoro-2,2-dimethyl-3H-1,4-benzoxazin-4-yl)-2-methylpropan-2-amine is CC(C)(N)CN1CC(C)(C)Oc2ccc(F)cc21.
What is the InChIKey of 1-(6-fluoro-2,2-dimethyl-3H-1,4-benzoxazin-4-yl)-2-methylpropan-2-amine?
The InChIKey is HJLGSZNNPNARQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O/c1-13(2,16)8-17-9-14(3,4)18-12-6-5-10(15)7-11(12)17/h5-7H,8-9,16H2,1-4H3.
What are the key properties of 1-(6-fluoro-2,2-dimethyl-3H-1,4-benzoxazin-4-yl)-2-methylpropan-2-amine?
1-(6-fluoro-2,2-dimethyl-3H-1,4-benzoxazin-4-yl)-2-methylpropan-2-amine has a molecular weight of 252.33 g/mol, XLogP of 2.54, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-fluoro-2,2-dimethyl-3H-1,4-benzoxazin-4-yl)-2-methylpropan-2-amine is sourced from PubChem (CID 82143186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).