8-fluoro-2-methyl-3,4-dihydro-2H-1,4-benzoxazin-6-amine

C9H11FN2O — CID 82229802

IUPAC8-fluoro-2-methyl-3,4-dihydro-2H-1,4-benzoxazin-6-amine
SMILESCC1CNc2cc(N)cc(F)c2O1
InChIInChI=1S/C9H11FN2O/c1-5-4-12-8-3-6(11)2-7(10)9(8)13-5/h2-3,5,12H,4,11H2,1H3
InChIKeyFCBPHBJAAAMQES-UHFFFAOYSA-N
MW182.20 g/mol
LogP1.60
Rot. Bonds

About 8-fluoro-2-methyl-3,4-dihydro-2H-1,4-benzoxazin-6-amine

8-fluoro-2-methyl-3,4-dihydro-2H-1,4-benzoxazin-6-amine (PubChem CID 82229802) has the molecular formula C9H11FN2O and a molecular weight of 182.20 g/mol. Its IUPAC name is 8-fluoro-2-methyl-3,4-dihydro-2H-1,4-benzoxazin-6-amine.

Molecular Properties

Compound Name8-fluoro-2-methyl-3,4-dihydro-2H-1,4-benzoxazin-6-amine
PubChem CID82229802
Molecular FormulaC9H11FN2O
Molecular Weight182.20 g/mol
Exact Mass182.09
IUPAC Name8-fluoro-2-methyl-3,4-dihydro-2H-1,4-benzoxazin-6-amine
SMILESCC1CNc2cc(N)cc(F)c2O1
InChIInChI=1S/C9H11FN2O/c1-5-4-12-8-3-6(11)2-7(10)9(8)13-5/h2-3,5,12H,4,11H2,1H3
InChIKeyFCBPHBJAAAMQES-UHFFFAOYSA-N
XLogP1.60
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.20
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,8-dimethyl-3,4-dihydro-2H-1,4-benzoxazin-6-amine
CID 82229766
6-fluoro-2-methyl-3,4-dihydro-2H-1,4-benzoxazin-8-amine
CID 82229801
6-tert-butyl-2-methyl-3,4-dihydro-2H-1,4-benzoxazin-8-amine
CID 82231064
6-ethyl-2-methyl-3,4-dihydro-2H-1,4-benzoxazin-8-amine
CID 82230038
(2S)-7,9-difluoro-2-methyl-2,3,4,5-tetrahydro-1,4-benzoxazepine
CID 166099755
6-chloro-7-fluoro-2-methyl-3,4-dihydro-2H-1,4-benzoxazine
CID 82720878
(2S)-6-fluoro-2-methyl-3,4-dihydro-2H-1,4-benzoxazine
CID 94804094
2,8-dimethyl-3,4-dihydro-2H-1,4-benzoxazine
CID 79001888
7,9-difluoro-3-methyl-2,3,4,5-tetrahydro-1,5-benzoxazepine
CID 82230165
8-chloro-2-methyl-3,4-dihydro-2H-1,4-benzoxazine
CID 75355763
(2S)-8-chloro-2-methyl-3,4-dihydro-2H-1,4-benzoxazine
CID 94975646
2,8-dimethyl-3,4-dihydro-2H-pyrido[4,3-b][1,4]oxazine
CID 171622746

Frequently Asked Questions

What is the IUPAC name of 8-fluoro-2-methyl-3,4-dihydro-2H-1,4-benzoxazin-6-amine?
The IUPAC name of 8-fluoro-2-methyl-3,4-dihydro-2H-1,4-benzoxazin-6-amine (CID 82229802) is 8-fluoro-2-methyl-3,4-dihydro-2H-1,4-benzoxazin-6-amine.
What is the SMILES notation for 8-fluoro-2-methyl-3,4-dihydro-2H-1,4-benzoxazin-6-amine?
The canonical SMILES for 8-fluoro-2-methyl-3,4-dihydro-2H-1,4-benzoxazin-6-amine is CC1CNc2cc(N)cc(F)c2O1.
What is the InChIKey of 8-fluoro-2-methyl-3,4-dihydro-2H-1,4-benzoxazin-6-amine?
The InChIKey is FCBPHBJAAAMQES-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11FN2O/c1-5-4-12-8-3-6(11)2-7(10)9(8)13-5/h2-3,5,12H,4,11H2,1H3.
What are the key properties of 8-fluoro-2-methyl-3,4-dihydro-2H-1,4-benzoxazin-6-amine?
8-fluoro-2-methyl-3,4-dihydro-2H-1,4-benzoxazin-6-amine has a molecular weight of 182.20 g/mol, XLogP of 1.60, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-2-methyl-3,4-dihydro-2H-1,4-benzoxazin-6-amine is sourced from PubChem (CID 82229802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).