(5,7-difluoro-3,4-dihydro-2H-1,4-benzoxazin-3-yl)methanamine

C9H10F2N2O — CID 84619648

IUPAC(5,7-difluoro-3,4-dihydro-2H-1,4-benzoxazin-3-yl)methanamine
SMILESNCC1COc2cc(F)cc(F)c2N1
InChIInChI=1S/C9H10F2N2O/c10-5-1-7(11)9-8(2-5)14-4-6(3-12)13-9/h1-2,6,13H,3-4,12H2
InChIKeyVDJKHBMTBCCFBV-UHFFFAOYSA-N
MW200.19 g/mol
LogP1.10
Rot. Bonds1

About (5,7-difluoro-3,4-dihydro-2H-1,4-benzoxazin-3-yl)methanamine

(5,7-difluoro-3,4-dihydro-2H-1,4-benzoxazin-3-yl)methanamine (PubChem CID 84619648) has the molecular formula C9H10F2N2O and a molecular weight of 200.19 g/mol. Its IUPAC name is (5,7-difluoro-3,4-dihydro-2H-1,4-benzoxazin-3-yl)methanamine.

Molecular Properties

Compound Name(5,7-difluoro-3,4-dihydro-2H-1,4-benzoxazin-3-yl)methanamine
PubChem CID84619648
Molecular FormulaC9H10F2N2O
Molecular Weight200.19 g/mol
Exact Mass200.08
IUPAC Name(5,7-difluoro-3,4-dihydro-2H-1,4-benzoxazin-3-yl)methanamine
SMILESNCC1COc2cc(F)cc(F)c2N1
InChIInChI=1S/C9H10F2N2O/c10-5-1-7(11)9-8(2-5)14-4-6(3-12)13-9/h1-2,6,13H,3-4,12H2
InChIKeyVDJKHBMTBCCFBV-UHFFFAOYSA-N
XLogP1.10
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.19
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[5-(4-chloro-2-methylphenyl)-7-fluoro-3,4-dihydro-2H-1,4-benzoxazin-3-yl]methanamine
CID 68545178
[7-fluoro-5-[4-methyl-2-(trifluoromethyl)phenyl]-3,4-dihydro-2H-1,4-benzoxazin-3-yl]methanamine
CID 68549203
(5-bromo-7-methyl-3,4-dihydro-2H-1,4-benzoxazin-3-yl)methanamine
CID 143663551
(5-methoxy-3,4-dihydro-2H-1,4-benzoxazin-3-yl)methanamine
CID 59185838
(7-chloro-3,4-dihydro-2H-1,4-benzoxazin-3-yl)methanamine
CID 84619592
[(3S)-7-chloro-5-[2-(trifluoromethyl)phenyl]-3,4-dihydro-2H-1,4-benzoxazin-3-yl]methanamine
CID 24985172
4,6-difluoro-2,3-dihydro-1-benzofuran-3-amine;hydrochloride
CID 75480738
(6-tert-butyl-3,4-dihydro-2H-1,4-benzoxazin-3-yl)methanamine
CID 84623706
(7-fluoro-3,4-dihydro-2H-1,4-benzoxazin-3-yl)methanol
CID 68554157
3-ethyl-4,6-difluoro-2,3-dihydro-1-benzofuran
CID 171497212
[(3R)-6-fluoro-2,3-dihydro-1,4-benzodioxin-3-yl]methanamine
CID 54112466
[(3S)-6-fluoro-2,3-dihydro-1,4-benzodioxin-3-yl]methanamine
CID 54112467

Frequently Asked Questions

What is the IUPAC name of (5,7-difluoro-3,4-dihydro-2H-1,4-benzoxazin-3-yl)methanamine?
The IUPAC name of (5,7-difluoro-3,4-dihydro-2H-1,4-benzoxazin-3-yl)methanamine (CID 84619648) is (5,7-difluoro-3,4-dihydro-2H-1,4-benzoxazin-3-yl)methanamine.
What is the SMILES notation for (5,7-difluoro-3,4-dihydro-2H-1,4-benzoxazin-3-yl)methanamine?
The canonical SMILES for (5,7-difluoro-3,4-dihydro-2H-1,4-benzoxazin-3-yl)methanamine is NCC1COc2cc(F)cc(F)c2N1.
What is the InChIKey of (5,7-difluoro-3,4-dihydro-2H-1,4-benzoxazin-3-yl)methanamine?
The InChIKey is VDJKHBMTBCCFBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F2N2O/c10-5-1-7(11)9-8(2-5)14-4-6(3-12)13-9/h1-2,6,13H,3-4,12H2.
What are the key properties of (5,7-difluoro-3,4-dihydro-2H-1,4-benzoxazin-3-yl)methanamine?
(5,7-difluoro-3,4-dihydro-2H-1,4-benzoxazin-3-yl)methanamine has a molecular weight of 200.19 g/mol, XLogP of 1.10, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5,7-difluoro-3,4-dihydro-2H-1,4-benzoxazin-3-yl)methanamine is sourced from PubChem (CID 84619648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).