1-[3,5-dibromo-4-(difluoromethoxy)phenyl]butan-2-amine

C11H13Br2F2NO — CID 107739943

IUPAC1-[3,5-dibromo-4-(difluoromethoxy)phenyl]butan-2-amine
SMILESCCC(N)Cc1cc(Br)c(OC(F)F)c(Br)c1
InChIInChI=1S/C11H13Br2F2NO/c1-2-7(16)3-6-4-8(12)10(9(13)5-6)17-11(14)15/h4-5,7,11H,2-3,16H2,1H3
InChIKeyDOXYAROERXAOHJ-UHFFFAOYSA-N
MW373.04 g/mol
LogP4.09
Rot. Bonds5

About 1-[3,5-dibromo-4-(difluoromethoxy)phenyl]butan-2-amine

1-[3,5-dibromo-4-(difluoromethoxy)phenyl]butan-2-amine (PubChem CID 107739943) has the molecular formula C11H13Br2F2NO and a molecular weight of 373.04 g/mol. Its IUPAC name is 1-[3,5-dibromo-4-(difluoromethoxy)phenyl]butan-2-amine.

Molecular Properties

Compound Name1-[3,5-dibromo-4-(difluoromethoxy)phenyl]butan-2-amine
PubChem CID107739943
Molecular FormulaC11H13Br2F2NO
Molecular Weight373.04 g/mol
Exact Mass370.93
IUPAC Name1-[3,5-dibromo-4-(difluoromethoxy)phenyl]butan-2-amine
SMILESCCC(N)Cc1cc(Br)c(OC(F)F)c(Br)c1
InChIInChI=1S/C11H13Br2F2NO/c1-2-7(16)3-6-4-8(12)10(9(13)5-6)17-11(14)15/h4-5,7,11H,2-3,16H2,1H3
InChIKeyDOXYAROERXAOHJ-UHFFFAOYSA-N
XLogP4.09
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.04
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-(2-aminobutyl)-2,6-dibromophenoxy]pentanoic acid
CID 107739980
1-(4-butan-2-yloxy-3,5-difluorophenyl)butan-2-amine
CID 79887538
1-(3,5-dibromo-4-cycloheptyloxyphenyl)butan-2-amine
CID 107739935
1-[3,5-dibromo-4-[2-(2-methoxyethoxy)ethoxy]phenyl]butan-2-amine
CID 107740015
methyl 2-[4-(2-aminobutyl)-2,6-dibromophenoxy]acetate
CID 107740004
1-(3-bromo-5-ethoxy-4-pentoxyphenyl)butan-2-amine
CID 63421511
2-[3,5-dibromo-4-(difluoromethoxy)phenyl]acetonitrile
CID 121227967
1-[3-bromo-5-methoxy-4-(2-methylprop-2-enoxy)phenyl]butan-2-amine
CID 54929434
[3-bromo-4-(difluoromethoxy)-5-methoxyphenyl]methanamine
CID 43622273
1-[3-bromo-4-(cyclobutylmethoxy)-5-ethoxyphenyl]butan-2-amine
CID 65459083
1-[3-bromo-5-methoxy-4-(2-methylsulfonylethoxy)phenyl]butan-2-amine
CID 60916224
1-[3,5-dibromo-4-(2-imidazol-1-ylethoxy)phenyl]butan-2-amine
CID 107740010

Frequently Asked Questions

What is the IUPAC name of 1-[3,5-dibromo-4-(difluoromethoxy)phenyl]butan-2-amine?
The IUPAC name of 1-[3,5-dibromo-4-(difluoromethoxy)phenyl]butan-2-amine (CID 107739943) is 1-[3,5-dibromo-4-(difluoromethoxy)phenyl]butan-2-amine.
What is the SMILES notation for 1-[3,5-dibromo-4-(difluoromethoxy)phenyl]butan-2-amine?
The canonical SMILES for 1-[3,5-dibromo-4-(difluoromethoxy)phenyl]butan-2-amine is CCC(N)Cc1cc(Br)c(OC(F)F)c(Br)c1.
What is the InChIKey of 1-[3,5-dibromo-4-(difluoromethoxy)phenyl]butan-2-amine?
The InChIKey is DOXYAROERXAOHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13Br2F2NO/c1-2-7(16)3-6-4-8(12)10(9(13)5-6)17-11(14)15/h4-5,7,11H,2-3,16H2,1H3.
What are the key properties of 1-[3,5-dibromo-4-(difluoromethoxy)phenyl]butan-2-amine?
1-[3,5-dibromo-4-(difluoromethoxy)phenyl]butan-2-amine has a molecular weight of 373.04 g/mol, XLogP of 4.09, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3,5-dibromo-4-(difluoromethoxy)phenyl]butan-2-amine is sourced from PubChem (CID 107739943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).