N-(2-bromo-6-fluorophenyl)-2,2-dimethyloxan-4-amine

C13H17BrFNO — CID 107598228

IUPACN-(2-bromo-6-fluorophenyl)-2,2-dimethyloxan-4-amine
SMILESCC1(C)CC(Nc2c(F)cccc2Br)CCO1
InChIInChI=1S/C13H17BrFNO/c1-13(2)8-9(6-7-17-13)16-12-10(14)4-3-5-11(12)15/h3-5,9,16H,6-8H2,1-2H3
InChIKeyDYDLKQFCRSVBAA-UHFFFAOYSA-N
MW302.19 g/mol
LogP3.96
Rot. Bonds2

About N-(2-bromo-6-fluorophenyl)-2,2-dimethyloxan-4-amine

N-(2-bromo-6-fluorophenyl)-2,2-dimethyloxan-4-amine (PubChem CID 107598228) has the molecular formula C13H17BrFNO and a molecular weight of 302.19 g/mol. Its IUPAC name is N-(2-bromo-6-fluorophenyl)-2,2-dimethyloxan-4-amine.

Molecular Properties

Compound NameN-(2-bromo-6-fluorophenyl)-2,2-dimethyloxan-4-amine
PubChem CID107598228
Molecular FormulaC13H17BrFNO
Molecular Weight302.19 g/mol
Exact Mass301.05
IUPAC NameN-(2-bromo-6-fluorophenyl)-2,2-dimethyloxan-4-amine
SMILESCC1(C)CC(Nc2c(F)cccc2Br)CCO1
InChIInChI=1S/C13H17BrFNO/c1-13(2)8-9(6-7-17-13)16-12-10(14)4-3-5-11(12)15/h3-5,9,16H,6-8H2,1-2H3
InChIKeyDYDLKQFCRSVBAA-UHFFFAOYSA-N
XLogP3.96
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.19
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-bromo-N-(3,3-dimethylcyclopentyl)-6-fluoroaniline
CID 107597939
N-(2-bromo-6-fluorophenyl)-6-oxa-2-thiaspiro[4.5]decan-9-amine
CID 107599402
2-bromo-N-(3,3-dimethylcyclohexyl)-6-fluoroaniline
CID 107598041
2-bromo-6-fluoro-N-(3,3,5-trimethylcyclohexyl)aniline
CID 107598169
5-bromo-N-(2,2-dimethyloxan-4-yl)-3-fluoropyridin-2-amine
CID 104925033
8-bromo-N-(2,2-dimethyloxan-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 83028332
N-(2,2-dimethyloxan-4-yl)-3,5,6-trifluoropyridin-2-amine
CID 114072659
(4R)-N-(4-chlorophenyl)-2,2-dimethyloxan-4-amine
CID 40899638
3-N-(2,2-dimethyloxan-4-yl)benzene-1,3-diamine
CID 83027347
3-bromo-N-(2,2-dimethyloxan-4-yl)pyridin-4-amine
CID 104777207
N-(2-bromo-4-iodophenyl)-2,2-dimethyloxan-4-amine
CID 114259179
N-[(1R)-1-(2-fluorophenyl)ethyl]-2,2-dimethyloxan-4-amine
CID 81380158

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-6-fluorophenyl)-2,2-dimethyloxan-4-amine?
The IUPAC name of N-(2-bromo-6-fluorophenyl)-2,2-dimethyloxan-4-amine (CID 107598228) is N-(2-bromo-6-fluorophenyl)-2,2-dimethyloxan-4-amine.
What is the SMILES notation for N-(2-bromo-6-fluorophenyl)-2,2-dimethyloxan-4-amine?
The canonical SMILES for N-(2-bromo-6-fluorophenyl)-2,2-dimethyloxan-4-amine is CC1(C)CC(Nc2c(F)cccc2Br)CCO1.
What is the InChIKey of N-(2-bromo-6-fluorophenyl)-2,2-dimethyloxan-4-amine?
The InChIKey is DYDLKQFCRSVBAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrFNO/c1-13(2)8-9(6-7-17-13)16-12-10(14)4-3-5-11(12)15/h3-5,9,16H,6-8H2,1-2H3.
What are the key properties of N-(2-bromo-6-fluorophenyl)-2,2-dimethyloxan-4-amine?
N-(2-bromo-6-fluorophenyl)-2,2-dimethyloxan-4-amine has a molecular weight of 302.19 g/mol, XLogP of 3.96, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-6-fluorophenyl)-2,2-dimethyloxan-4-amine is sourced from PubChem (CID 107598228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).