N-ethyl-5-fluoro-4-(4-fluoro-2-methylphenyl)-2,2-dimethyl-1,3-benzoxazin-7-amine

C19H20F2N2O — CID 71242017

IUPACN-ethyl-5-fluoro-4-(4-fluoro-2-methylphenyl)-2,2-dimethyl-1,3-benzoxazin-7-amine
SMILESCCNc1cc(F)c2c(c1)OC(C)(C)N=C2c1ccc(F)cc1C
InChIInChI=1S/C19H20F2N2O/c1-5-22-13-9-15(21)17-16(10-13)24-19(3,4)23-18(17)14-7-6-12(20)8-11(14)2/h6-10,22H,5H2,1-4H3
InChIKeyUPBYAYFRFFYPST-UHFFFAOYSA-N
MW330.38 g/mol
LogP4.67
Rot. Bonds3

About N-ethyl-5-fluoro-4-(4-fluoro-2-methylphenyl)-2,2-dimethyl-1,3-benzoxazin-7-amine

N-ethyl-5-fluoro-4-(4-fluoro-2-methylphenyl)-2,2-dimethyl-1,3-benzoxazin-7-amine (PubChem CID 71242017) has the molecular formula C19H20F2N2O and a molecular weight of 330.38 g/mol. Its IUPAC name is N-ethyl-5-fluoro-4-(4-fluoro-2-methylphenyl)-2,2-dimethyl-1,3-benzoxazin-7-amine.

Molecular Properties

Compound NameN-ethyl-5-fluoro-4-(4-fluoro-2-methylphenyl)-2,2-dimethyl-1,3-benzoxazin-7-amine
PubChem CID71242017
Molecular FormulaC19H20F2N2O
Molecular Weight330.38 g/mol
Exact Mass330.15
IUPAC NameN-ethyl-5-fluoro-4-(4-fluoro-2-methylphenyl)-2,2-dimethyl-1,3-benzoxazin-7-amine
SMILESCCNc1cc(F)c2c(c1)OC(C)(C)N=C2c1ccc(F)cc1C
InChIInChI=1S/C19H20F2N2O/c1-5-22-13-9-15(21)17-16(10-13)24-19(3,4)23-18(17)14-7-6-12(20)8-11(14)2/h6-10,22H,5H2,1-4H3
InChIKeyUPBYAYFRFFYPST-UHFFFAOYSA-N
XLogP4.67
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.38
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-fluoro-4-(4-fluoro-2-methylphenyl)-2,2-dimethyl-1,3-benzoxazin-7-amine?
The IUPAC name of N-ethyl-5-fluoro-4-(4-fluoro-2-methylphenyl)-2,2-dimethyl-1,3-benzoxazin-7-amine (CID 71242017) is N-ethyl-5-fluoro-4-(4-fluoro-2-methylphenyl)-2,2-dimethyl-1,3-benzoxazin-7-amine.
What is the SMILES notation for N-ethyl-5-fluoro-4-(4-fluoro-2-methylphenyl)-2,2-dimethyl-1,3-benzoxazin-7-amine?
The canonical SMILES for N-ethyl-5-fluoro-4-(4-fluoro-2-methylphenyl)-2,2-dimethyl-1,3-benzoxazin-7-amine is CCNc1cc(F)c2c(c1)OC(C)(C)N=C2c1ccc(F)cc1C.
What is the InChIKey of N-ethyl-5-fluoro-4-(4-fluoro-2-methylphenyl)-2,2-dimethyl-1,3-benzoxazin-7-amine?
The InChIKey is UPBYAYFRFFYPST-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F2N2O/c1-5-22-13-9-15(21)17-16(10-13)24-19(3,4)23-18(17)14-7-6-12(20)8-11(14)2/h6-10,22H,5H2,1-4H3.
What are the key properties of N-ethyl-5-fluoro-4-(4-fluoro-2-methylphenyl)-2,2-dimethyl-1,3-benzoxazin-7-amine?
N-ethyl-5-fluoro-4-(4-fluoro-2-methylphenyl)-2,2-dimethyl-1,3-benzoxazin-7-amine has a molecular weight of 330.38 g/mol, XLogP of 4.67, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-fluoro-4-(4-fluoro-2-methylphenyl)-2,2-dimethyl-1,3-benzoxazin-7-amine is sourced from PubChem (CID 71242017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).