6-fluoro-N-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-amine

C12H16FNO2 — CID 81481079

IUPAC6-fluoro-N-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-amine
SMILESCONC1CC(C)(C)Oc2ccc(F)cc21
InChIInChI=1S/C12H16FNO2/c1-12(2)7-10(14-15-3)9-6-8(13)4-5-11(9)16-12/h4-6,10,14H,7H2,1-3H3
InChIKeyKDIXFNOOXASCEY-UHFFFAOYSA-N
MW225.26 g/mol
LogP2.58
Rot. Bonds2

About 6-fluoro-N-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-amine

6-fluoro-N-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-amine (PubChem CID 81481079) has the molecular formula C12H16FNO2 and a molecular weight of 225.26 g/mol. Its IUPAC name is 6-fluoro-N-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-amine.

Molecular Properties

Compound Name6-fluoro-N-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-amine
PubChem CID81481079
Molecular FormulaC12H16FNO2
Molecular Weight225.26 g/mol
Exact Mass225.12
IUPAC Name6-fluoro-N-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-amine
SMILESCONC1CC(C)(C)Oc2ccc(F)cc21
InChIInChI=1S/C12H16FNO2/c1-12(2)7-10(14-15-3)9-6-8(13)4-5-11(9)16-12/h4-6,10,14H,7H2,1-3H3
InChIKeyKDIXFNOOXASCEY-UHFFFAOYSA-N
XLogP2.58
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.26
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

6-bromo-N-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-amine
CID 81480897
(4R)-6-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-ol
CID 10888842
(6-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-yl) acetate
CID 174747498
2-(6-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-yl)ethanol
CID 82080641
1-(2-chlorophenyl)-3-(6-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-yl)urea
CID 11609951
N-(6-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-yl)-2-morpholin-4-ylacetamide
CID 136550892
N-(4-fluoro-2-methylphenyl)-2,2-dimethyl-3,4-dihydrochromen-4-amine
CID 81139709
6-fluoro-N,1',1'-trimethylspiro[3,4-dihydrochromene-2,4'-cyclohexane]-4-amine
CID 114710437
S-[(7-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-yl)amino]thiohydroxylamine
CID 165409875
N-(2-bromo-5-fluorophenyl)-2,2-dimethyl-3,4-dihydrochromen-4-amine
CID 107633218
2-(4-fluorophenyl)-N-(2,2,6-trimethyl-3,4-dihydrochromen-4-yl)acetamide
CID 133166469
N-(6-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-yl)-2-(3-methylpyrazol-1-yl)acetamide
CID 136549794

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-N-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-amine?
The IUPAC name of 6-fluoro-N-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-amine (CID 81481079) is 6-fluoro-N-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-amine.
What is the SMILES notation for 6-fluoro-N-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-amine?
The canonical SMILES for 6-fluoro-N-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-amine is CONC1CC(C)(C)Oc2ccc(F)cc21.
What is the InChIKey of 6-fluoro-N-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-amine?
The InChIKey is KDIXFNOOXASCEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNO2/c1-12(2)7-10(14-15-3)9-6-8(13)4-5-11(9)16-12/h4-6,10,14H,7H2,1-3H3.
What are the key properties of 6-fluoro-N-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-amine?
6-fluoro-N-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-amine has a molecular weight of 225.26 g/mol, XLogP of 2.58, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-N-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-amine is sourced from PubChem (CID 81481079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).