2,4,6-tribromo-N-[3-(2-bromophenyl)cyclobutyl]aniline

C16H13Br4N — CID 63425206

IUPAC2,4,6-tribromo-N-[3-(2-bromophenyl)cyclobutyl]aniline
SMILESBrc1cc(Br)c(NC2CC(c3ccccc3Br)C2)c(Br)c1
InChIInChI=1S/C16H13Br4N/c17-10-7-14(19)16(15(20)8-10)21-11-5-9(6-11)12-3-1-2-4-13(12)18/h1-4,7-9,11,21H,5-6H2
InChIKeyGOOKPNLDRGLCNT-UHFFFAOYSA-N
MW538.90 g/mol
LogP7.09
Rot. Bonds3

About 2,4,6-tribromo-N-[3-(2-bromophenyl)cyclobutyl]aniline

2,4,6-tribromo-N-[3-(2-bromophenyl)cyclobutyl]aniline (PubChem CID 63425206) has the molecular formula C16H13Br4N and a molecular weight of 538.90 g/mol. Its IUPAC name is 2,4,6-tribromo-N-[3-(2-bromophenyl)cyclobutyl]aniline.

Molecular Properties

Compound Name2,4,6-tribromo-N-[3-(2-bromophenyl)cyclobutyl]aniline
PubChem CID63425206
Molecular FormulaC16H13Br4N
Molecular Weight538.90 g/mol
Exact Mass534.78
IUPAC Name2,4,6-tribromo-N-[3-(2-bromophenyl)cyclobutyl]aniline
SMILESBrc1cc(Br)c(NC2CC(c3ccccc3Br)C2)c(Br)c1
InChIInChI=1S/C16H13Br4N/c17-10-7-14(19)16(15(20)8-10)21-11-5-9(6-11)12-3-1-2-4-13(12)18/h1-4,7-9,11,21H,5-6H2
InChIKeyGOOKPNLDRGLCNT-UHFFFAOYSA-N
XLogP7.09
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500538.90
LogP ≤ 57.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2,4,6-tribromo-N-[3-(2-fluorophenyl)cyclobutyl]aniline
CID 63425780
2-bromo-N-[3-(2-bromophenyl)cyclobutyl]aniline
CID 43633521
3-[[3-(2-bromophenyl)cyclobutyl]amino]phenol
CID 43634745
2-bromo-N-[3-(2-bromophenyl)cyclobutyl]-4-chloroaniline
CID 81262120
4-bromo-2,6-difluoro-N-[3-(2-methylphenyl)cyclobutyl]aniline
CID 65469468
N-[3-(2-bromophenyl)cyclobutyl]-2,4-dichloroaniline
CID 43633020
N-[3-(2-bromophenyl)cyclobutyl]-2,5-dimethylaniline
CID 43634016
2,6-dibromo-N-(3-phenylcyclobutyl)aniline
CID 107597016
3-(2-bromophenyl)-N-propan-2-ylcyclobutan-1-amine
CID 43632648
4-bromo-N-[3-(2-bromophenyl)cyclobutyl]-3-methoxyaniline
CID 82859860
N-[3-(2-bromophenyl)cyclobutyl]-4-chloro-2-methylaniline
CID 43634088
N-[3-(2-bromophenyl)cyclobutyl]-4-methylsulfanylaniline
CID 43633071

Frequently Asked Questions

What is the IUPAC name of 2,4,6-tribromo-N-[3-(2-bromophenyl)cyclobutyl]aniline?
The IUPAC name of 2,4,6-tribromo-N-[3-(2-bromophenyl)cyclobutyl]aniline (CID 63425206) is 2,4,6-tribromo-N-[3-(2-bromophenyl)cyclobutyl]aniline.
What is the SMILES notation for 2,4,6-tribromo-N-[3-(2-bromophenyl)cyclobutyl]aniline?
The canonical SMILES for 2,4,6-tribromo-N-[3-(2-bromophenyl)cyclobutyl]aniline is Brc1cc(Br)c(NC2CC(c3ccccc3Br)C2)c(Br)c1.
What is the InChIKey of 2,4,6-tribromo-N-[3-(2-bromophenyl)cyclobutyl]aniline?
The InChIKey is GOOKPNLDRGLCNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13Br4N/c17-10-7-14(19)16(15(20)8-10)21-11-5-9(6-11)12-3-1-2-4-13(12)18/h1-4,7-9,11,21H,5-6H2.
What are the key properties of 2,4,6-tribromo-N-[3-(2-bromophenyl)cyclobutyl]aniline?
2,4,6-tribromo-N-[3-(2-bromophenyl)cyclobutyl]aniline has a molecular weight of 538.90 g/mol, XLogP of 7.09, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-tribromo-N-[3-(2-bromophenyl)cyclobutyl]aniline is sourced from PubChem (CID 63425206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).