2,4,6-tribromo-N-(3-methoxycyclobutyl)aniline

C11H12Br3NO — CID 106821279

IUPAC2,4,6-tribromo-N-(3-methoxycyclobutyl)aniline
SMILESCOC1CC(Nc2c(Br)cc(Br)cc2Br)C1
InChIInChI=1S/C11H12Br3NO/c1-16-8-4-7(5-8)15-11-9(13)2-6(12)3-10(11)14/h2-3,7-8,15H,4-5H2,1H3
InChIKeyBGUAYPIPSBQIEY-UHFFFAOYSA-N
MW413.94 g/mol
LogP4.56
Rot. Bonds3

About 2,4,6-tribromo-N-(3-methoxycyclobutyl)aniline

2,4,6-tribromo-N-(3-methoxycyclobutyl)aniline (PubChem CID 106821279) has the molecular formula C11H12Br3NO and a molecular weight of 413.94 g/mol. Its IUPAC name is 2,4,6-tribromo-N-(3-methoxycyclobutyl)aniline.

Molecular Properties

Compound Name2,4,6-tribromo-N-(3-methoxycyclobutyl)aniline
PubChem CID106821279
Molecular FormulaC11H12Br3NO
Molecular Weight413.94 g/mol
Exact Mass410.85
IUPAC Name2,4,6-tribromo-N-(3-methoxycyclobutyl)aniline
SMILESCOC1CC(Nc2c(Br)cc(Br)cc2Br)C1
InChIInChI=1S/C11H12Br3NO/c1-16-8-4-7(5-8)15-11-9(13)2-6(12)3-10(11)14/h2-3,7-8,15H,4-5H2,1H3
InChIKeyBGUAYPIPSBQIEY-UHFFFAOYSA-N
XLogP4.56
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.94
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,4,6-tribromo-N-(3-methoxycyclobutyl)aniline?
The IUPAC name of 2,4,6-tribromo-N-(3-methoxycyclobutyl)aniline (CID 106821279) is 2,4,6-tribromo-N-(3-methoxycyclobutyl)aniline.
What is the SMILES notation for 2,4,6-tribromo-N-(3-methoxycyclobutyl)aniline?
The canonical SMILES for 2,4,6-tribromo-N-(3-methoxycyclobutyl)aniline is COC1CC(Nc2c(Br)cc(Br)cc2Br)C1.
What is the InChIKey of 2,4,6-tribromo-N-(3-methoxycyclobutyl)aniline?
The InChIKey is BGUAYPIPSBQIEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12Br3NO/c1-16-8-4-7(5-8)15-11-9(13)2-6(12)3-10(11)14/h2-3,7-8,15H,4-5H2,1H3.
What are the key properties of 2,4,6-tribromo-N-(3-methoxycyclobutyl)aniline?
2,4,6-tribromo-N-(3-methoxycyclobutyl)aniline has a molecular weight of 413.94 g/mol, XLogP of 4.56, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-tribromo-N-(3-methoxycyclobutyl)aniline is sourced from PubChem (CID 106821279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).