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

C12H16BrNO2 — CID 81480897

IUPAC6-bromo-N-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-amine
SMILESCONC1CC(C)(C)Oc2ccc(Br)cc21
InChIInChI=1S/C12H16BrNO2/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
InChIKeyFFIPMJWDZNCDJI-UHFFFAOYSA-N
MW286.17 g/mol
LogP3.20
Rot. Bonds2

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

6-bromo-N-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-amine (PubChem CID 81480897) has the molecular formula C12H16BrNO2 and a molecular weight of 286.17 g/mol. Its IUPAC name is 6-bromo-N-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-amine.

Molecular Properties

Compound Name6-bromo-N-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-amine
PubChem CID81480897
Molecular FormulaC12H16BrNO2
Molecular Weight286.17 g/mol
Exact Mass285.04
IUPAC Name6-bromo-N-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-amine
SMILESCONC1CC(C)(C)Oc2ccc(Br)cc21
InChIInChI=1S/C12H16BrNO2/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
InChIKeyFFIPMJWDZNCDJI-UHFFFAOYSA-N
XLogP3.20
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.17
LogP ≤ 53.20
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-fluoro-N-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-amine
CID 81481079
7-bromo-N,2,2-trimethyl-3,4-dihydrochromen-4-amine
CID 79982958
6-bromo-4-isothiocyanato-2,2-dimethyl-3,4-dihydrochromene
CID 87666640
6-bromo-3'-methoxy-N-methylspiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-amine
CID 106825150
5-bromo-2-methoxy-N-(6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)benzenesulfonamide
CID 133178491
2-(3-bromophenyl)-N-[(4S)-6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]acetamide
CID 100701277
6-bromo-N-ethyl-2-methyl-2-(1-methylcyclopropyl)-3,4-dihydrochromen-4-amine
CID 114713374
1-(4-bromophenyl)-3-[(4S)-6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]thiourea
CID 100720746
1-(4-bromo-2-fluorophenyl)-3-(6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)thiourea
CID 133216010
6-bromo-N,2-diethyl-2-(methoxymethyl)-3,4-dihydrochromen-4-amine
CID 114713433
8-iodo-N-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-amine
CID 114287285
6-methoxy-2,2-dimethyl-N-(3-methylbutyl)-3,4-dihydrochromen-4-amine
CID 82461976

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-amine?
The IUPAC name of 6-bromo-N-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-amine (CID 81480897) is 6-bromo-N-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-amine.
What is the SMILES notation for 6-bromo-N-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-amine?
The canonical SMILES for 6-bromo-N-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-amine is CONC1CC(C)(C)Oc2ccc(Br)cc21.
What is the InChIKey of 6-bromo-N-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-amine?
The InChIKey is FFIPMJWDZNCDJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrNO2/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-bromo-N-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-amine?
6-bromo-N-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-amine has a molecular weight of 286.17 g/mol, XLogP of 3.20, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-amine is sourced from PubChem (CID 81480897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).