2,4-dibromo-N-(2-cyclohexylcyclohexyl)aniline

C18H25Br2N — CID 63427336

IUPAC2,4-dibromo-N-(2-cyclohexylcyclohexyl)aniline
SMILESBrc1ccc(NC2CCCCC2C2CCCCC2)c(Br)c1
InChIInChI=1S/C18H25Br2N/c19-14-10-11-18(16(20)12-14)21-17-9-5-4-8-15(17)13-6-2-1-3-7-13/h10-13,15,17,21H,1-9H2
InChIKeyVLTZONLICMDLOQ-UHFFFAOYSA-N
MW415.21 g/mol
LogP6.76
Rot. Bonds3

About 2,4-dibromo-N-(2-cyclohexylcyclohexyl)aniline

2,4-dibromo-N-(2-cyclohexylcyclohexyl)aniline (PubChem CID 63427336) has the molecular formula C18H25Br2N and a molecular weight of 415.21 g/mol. Its IUPAC name is 2,4-dibromo-N-(2-cyclohexylcyclohexyl)aniline.

Molecular Properties

Compound Name2,4-dibromo-N-(2-cyclohexylcyclohexyl)aniline
PubChem CID63427336
Molecular FormulaC18H25Br2N
Molecular Weight415.21 g/mol
Exact Mass413.04
IUPAC Name2,4-dibromo-N-(2-cyclohexylcyclohexyl)aniline
SMILESBrc1ccc(NC2CCCCC2C2CCCCC2)c(Br)c1
InChIInChI=1S/C18H25Br2N/c19-14-10-11-18(16(20)12-14)21-17-9-5-4-8-15(17)13-6-2-1-3-7-13/h10-13,15,17,21H,1-9H2
InChIKeyVLTZONLICMDLOQ-UHFFFAOYSA-N
XLogP6.76
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.21
LogP ≤ 56.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,4-dibromo-N-(2-cyclohexylcyclohexyl)aniline?
The IUPAC name of 2,4-dibromo-N-(2-cyclohexylcyclohexyl)aniline (CID 63427336) is 2,4-dibromo-N-(2-cyclohexylcyclohexyl)aniline.
What is the SMILES notation for 2,4-dibromo-N-(2-cyclohexylcyclohexyl)aniline?
The canonical SMILES for 2,4-dibromo-N-(2-cyclohexylcyclohexyl)aniline is Brc1ccc(NC2CCCCC2C2CCCCC2)c(Br)c1.
What is the InChIKey of 2,4-dibromo-N-(2-cyclohexylcyclohexyl)aniline?
The InChIKey is VLTZONLICMDLOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25Br2N/c19-14-10-11-18(16(20)12-14)21-17-9-5-4-8-15(17)13-6-2-1-3-7-13/h10-13,15,17,21H,1-9H2.
What are the key properties of 2,4-dibromo-N-(2-cyclohexylcyclohexyl)aniline?
2,4-dibromo-N-(2-cyclohexylcyclohexyl)aniline has a molecular weight of 415.21 g/mol, XLogP of 6.76, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dibromo-N-(2-cyclohexylcyclohexyl)aniline is sourced from PubChem (CID 63427336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).