1-(5-bromo-2-methoxy-3,4,6-trimethylphenyl)-1,1-difluoro-2-methylpropan-2-amine

C14H20BrF2NO — CID 116839475

IUPAC1-(5-bromo-2-methoxy-3,4,6-trimethylphenyl)-1,1-difluoro-2-methylpropan-2-amine
SMILESCOc1c(C)c(C)c(Br)c(C)c1C(F)(F)C(C)(C)N
InChIInChI=1S/C14H20BrF2NO/c1-7-8(2)12(19-6)10(9(3)11(7)15)14(16,17)13(4,5)18/h18H2,1-6H3
InChIKeyNPKUUHXCCXTHJW-UHFFFAOYSA-N
MW336.22 g/mol
LogP4.21
Rot. Bonds3

About 1-(5-bromo-2-methoxy-3,4,6-trimethylphenyl)-1,1-difluoro-2-methylpropan-2-amine

1-(5-bromo-2-methoxy-3,4,6-trimethylphenyl)-1,1-difluoro-2-methylpropan-2-amine (PubChem CID 116839475) has the molecular formula C14H20BrF2NO and a molecular weight of 336.22 g/mol. Its IUPAC name is 1-(5-bromo-2-methoxy-3,4,6-trimethylphenyl)-1,1-difluoro-2-methylpropan-2-amine.

Molecular Properties

Compound Name1-(5-bromo-2-methoxy-3,4,6-trimethylphenyl)-1,1-difluoro-2-methylpropan-2-amine
PubChem CID116839475
Molecular FormulaC14H20BrF2NO
Molecular Weight336.22 g/mol
Exact Mass335.07
IUPAC Name1-(5-bromo-2-methoxy-3,4,6-trimethylphenyl)-1,1-difluoro-2-methylpropan-2-amine
SMILESCOc1c(C)c(C)c(Br)c(C)c1C(F)(F)C(C)(C)N
InChIInChI=1S/C14H20BrF2NO/c1-7-8(2)12(19-6)10(9(3)11(7)15)14(16,17)13(4,5)18/h18H2,1-6H3
InChIKeyNPKUUHXCCXTHJW-UHFFFAOYSA-N
XLogP4.21
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.22
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-bromo-3-(1,1-difluoropropyl)-4-methoxy-2,5,6-trimethylbenzene
CID 116841345
3-(5-bromo-2-methoxy-3,4,6-trimethylphenyl)-3,3-difluoro-N-methylpropan-1-amine
CID 116838749
1-N-[(5-bromo-2-methoxy-3,4,6-trimethylphenyl)methyl]-2-methylpropane-1,2-diamine
CID 115135975
1-chloro-3-(1,1-difluoroethyl)-4-methoxy-2,5,6-trimethylbenzene
CID 116841612
4-(5-bromo-2-methoxy-3,4,6-trimethylphenyl)-3,3-dimethylbutan-1-amine
CID 116925185
1-chloro-4-methoxy-2,3,6-trimethyl-5-(trifluoromethyl)benzene
CID 116964849
5-bromo-N-(chloromethyl)-2-methoxy-3,4,6-trimethylaniline
CID 115262775
1-bromo-4-methoxy-3-(methoxymethyl)-2,5,6-trimethylbenzene
CID 116932278
4-(5-bromo-2-methoxy-3,4,6-trimethylphenyl)butan-1-amine
CID 116924825
1,1-difluoro-2-methyl-1-(2,4,6-trimethylphenyl)propan-2-amine
CID 116839389
2-(3-bromo-2,5-dimethoxy-4-methylphenyl)propan-2-amine
CID 117465358
2-(5-bromo-2-methoxy-3,4,6-trimethylanilino)ethanol
CID 115216070

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-methoxy-3,4,6-trimethylphenyl)-1,1-difluoro-2-methylpropan-2-amine?
The IUPAC name of 1-(5-bromo-2-methoxy-3,4,6-trimethylphenyl)-1,1-difluoro-2-methylpropan-2-amine (CID 116839475) is 1-(5-bromo-2-methoxy-3,4,6-trimethylphenyl)-1,1-difluoro-2-methylpropan-2-amine.
What is the SMILES notation for 1-(5-bromo-2-methoxy-3,4,6-trimethylphenyl)-1,1-difluoro-2-methylpropan-2-amine?
The canonical SMILES for 1-(5-bromo-2-methoxy-3,4,6-trimethylphenyl)-1,1-difluoro-2-methylpropan-2-amine is COc1c(C)c(C)c(Br)c(C)c1C(F)(F)C(C)(C)N.
What is the InChIKey of 1-(5-bromo-2-methoxy-3,4,6-trimethylphenyl)-1,1-difluoro-2-methylpropan-2-amine?
The InChIKey is NPKUUHXCCXTHJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrF2NO/c1-7-8(2)12(19-6)10(9(3)11(7)15)14(16,17)13(4,5)18/h18H2,1-6H3.
What are the key properties of 1-(5-bromo-2-methoxy-3,4,6-trimethylphenyl)-1,1-difluoro-2-methylpropan-2-amine?
1-(5-bromo-2-methoxy-3,4,6-trimethylphenyl)-1,1-difluoro-2-methylpropan-2-amine has a molecular weight of 336.22 g/mol, XLogP of 4.21, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2-methoxy-3,4,6-trimethylphenyl)-1,1-difluoro-2-methylpropan-2-amine is sourced from PubChem (CID 116839475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).