2,6-dibromo-4-methyl-N-[3-(2-methylpropyl)cyclohexyl]aniline

C17H25Br2N — CID 107428039

IUPAC2,6-dibromo-4-methyl-N-[3-(2-methylpropyl)cyclohexyl]aniline
SMILESCc1cc(Br)c(NC2CCCC(CC(C)C)C2)c(Br)c1
InChIInChI=1S/C17H25Br2N/c1-11(2)7-13-5-4-6-14(10-13)20-17-15(18)8-12(3)9-16(17)19/h8-9,11,13-14,20H,4-7,10H2,1-3H3
InChIKeyDJYOMBPEVLVBLW-UHFFFAOYSA-N
MW403.20 g/mol
LogP6.54
Rot. Bonds4

About 2,6-dibromo-4-methyl-N-[3-(2-methylpropyl)cyclohexyl]aniline

2,6-dibromo-4-methyl-N-[3-(2-methylpropyl)cyclohexyl]aniline (PubChem CID 107428039) has the molecular formula C17H25Br2N and a molecular weight of 403.20 g/mol. Its IUPAC name is 2,6-dibromo-4-methyl-N-[3-(2-methylpropyl)cyclohexyl]aniline.

Molecular Properties

Compound Name2,6-dibromo-4-methyl-N-[3-(2-methylpropyl)cyclohexyl]aniline
PubChem CID107428039
Molecular FormulaC17H25Br2N
Molecular Weight403.20 g/mol
Exact Mass401.04
IUPAC Name2,6-dibromo-4-methyl-N-[3-(2-methylpropyl)cyclohexyl]aniline
SMILESCc1cc(Br)c(NC2CCCC(CC(C)C)C2)c(Br)c1
InChIInChI=1S/C17H25Br2N/c1-11(2)7-13-5-4-6-14(10-13)20-17-15(18)8-12(3)9-16(17)19/h8-9,11,13-14,20H,4-7,10H2,1-3H3
InChIKeyDJYOMBPEVLVBLW-UHFFFAOYSA-N
XLogP6.54
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.20
LogP ≤ 56.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,6-dibromo-4-methyl-N-[3-(2-methylpropyl)cyclohexyl]aniline?
The IUPAC name of 2,6-dibromo-4-methyl-N-[3-(2-methylpropyl)cyclohexyl]aniline (CID 107428039) is 2,6-dibromo-4-methyl-N-[3-(2-methylpropyl)cyclohexyl]aniline.
What is the SMILES notation for 2,6-dibromo-4-methyl-N-[3-(2-methylpropyl)cyclohexyl]aniline?
The canonical SMILES for 2,6-dibromo-4-methyl-N-[3-(2-methylpropyl)cyclohexyl]aniline is Cc1cc(Br)c(NC2CCCC(CC(C)C)C2)c(Br)c1.
What is the InChIKey of 2,6-dibromo-4-methyl-N-[3-(2-methylpropyl)cyclohexyl]aniline?
The InChIKey is DJYOMBPEVLVBLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25Br2N/c1-11(2)7-13-5-4-6-14(10-13)20-17-15(18)8-12(3)9-16(17)19/h8-9,11,13-14,20H,4-7,10H2,1-3H3.
What are the key properties of 2,6-dibromo-4-methyl-N-[3-(2-methylpropyl)cyclohexyl]aniline?
2,6-dibromo-4-methyl-N-[3-(2-methylpropyl)cyclohexyl]aniline has a molecular weight of 403.20 g/mol, XLogP of 6.54, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dibromo-4-methyl-N-[3-(2-methylpropyl)cyclohexyl]aniline is sourced from PubChem (CID 107428039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).