2,4,6-tribromo-N-[2-(oxolan-2-yl)ethyl]aniline

C12H14Br3NO — CID 65163343

IUPAC2,4,6-tribromo-N-[2-(oxolan-2-yl)ethyl]aniline
SMILESBrc1cc(Br)c(NCCC2CCCO2)c(Br)c1
InChIInChI=1S/C12H14Br3NO/c13-8-6-10(14)12(11(15)7-8)16-4-3-9-2-1-5-17-9/h6-7,9,16H,1-5H2
InChIKeyLPTRTJWLDRILLZ-UHFFFAOYSA-N
MW427.96 g/mol
LogP4.96
Rot. Bonds4

About 2,4,6-tribromo-N-[2-(oxolan-2-yl)ethyl]aniline

2,4,6-tribromo-N-[2-(oxolan-2-yl)ethyl]aniline (PubChem CID 65163343) has the molecular formula C12H14Br3NO and a molecular weight of 427.96 g/mol. Its IUPAC name is 2,4,6-tribromo-N-[2-(oxolan-2-yl)ethyl]aniline.

Molecular Properties

Compound Name2,4,6-tribromo-N-[2-(oxolan-2-yl)ethyl]aniline
PubChem CID65163343
Molecular FormulaC12H14Br3NO
Molecular Weight427.96 g/mol
Exact Mass424.86
IUPAC Name2,4,6-tribromo-N-[2-(oxolan-2-yl)ethyl]aniline
SMILESBrc1cc(Br)c(NCCC2CCCO2)c(Br)c1
InChIInChI=1S/C12H14Br3NO/c13-8-6-10(14)12(11(15)7-8)16-4-3-9-2-1-5-17-9/h6-7,9,16H,1-5H2
InChIKeyLPTRTJWLDRILLZ-UHFFFAOYSA-N
XLogP4.96
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.96
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,4,6-tribromo-N-[3-(oxolan-2-yl)propyl]aniline
CID 65163342
4-bromo-2,6-difluoro-N-[2-(oxolan-2-yl)ethyl]aniline
CID 65467440
3-bromo-5-methyl-N-[2-(oxolan-2-yl)ethyl]aniline
CID 102975836
2-bromo-5-fluoro-N-[2-(oxolan-2-yl)ethyl]aniline
CID 102975818
2-bromo-N-[2-(oxolan-2-yl)ethyl]aniline
CID 63181267
2,4-dibromo-N-(oxolan-2-ylmethyl)aniline
CID 60680681
5-bromo-N-[2-(oxolan-2-yl)ethyl]pyridin-2-amine
CID 61039267
5-bromo-N-[2-(oxan-2-yl)ethyl]pyrimidin-2-amine
CID 103990682
4-bromo-N-[2-(oxolan-2-yl)ethyl]-2-(trifluoromethoxy)aniline
CID 103193120
5-bromo-N-[2-(oxolan-2-yl)ethyl]-1,3,4-thiadiazol-2-amine
CID 64624112
3-bromo-5-chloro-N-[2-(oxolan-2-yl)ethyl]benzamide
CID 113286146
4-bromo-5-fluoro-2-nitro-N-[2-(oxolan-2-yl)ethyl]aniline
CID 66109877

Frequently Asked Questions

What is the IUPAC name of 2,4,6-tribromo-N-[2-(oxolan-2-yl)ethyl]aniline?
The IUPAC name of 2,4,6-tribromo-N-[2-(oxolan-2-yl)ethyl]aniline (CID 65163343) is 2,4,6-tribromo-N-[2-(oxolan-2-yl)ethyl]aniline.
What is the SMILES notation for 2,4,6-tribromo-N-[2-(oxolan-2-yl)ethyl]aniline?
The canonical SMILES for 2,4,6-tribromo-N-[2-(oxolan-2-yl)ethyl]aniline is Brc1cc(Br)c(NCCC2CCCO2)c(Br)c1.
What is the InChIKey of 2,4,6-tribromo-N-[2-(oxolan-2-yl)ethyl]aniline?
The InChIKey is LPTRTJWLDRILLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14Br3NO/c13-8-6-10(14)12(11(15)7-8)16-4-3-9-2-1-5-17-9/h6-7,9,16H,1-5H2.
What are the key properties of 2,4,6-tribromo-N-[2-(oxolan-2-yl)ethyl]aniline?
2,4,6-tribromo-N-[2-(oxolan-2-yl)ethyl]aniline has a molecular weight of 427.96 g/mol, XLogP of 4.96, 4 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-[2-(oxolan-2-yl)ethyl]aniline is sourced from PubChem (CID 65163343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).