2,6-dibromo-N-(1-cyclohexylethyl)-4-methylaniline

C15H21Br2N — CID 55199408

IUPAC2,6-dibromo-N-(1-cyclohexylethyl)-4-methylaniline
SMILESCc1cc(Br)c(NC(C)C2CCCCC2)c(Br)c1
InChIInChI=1S/C15H21Br2N/c1-10-8-13(16)15(14(17)9-10)18-11(2)12-6-4-3-5-7-12/h8-9,11-12,18H,3-7H2,1-2H3
InChIKeyGETKMFIBPGLQJU-UHFFFAOYSA-N
MW375.15 g/mol
LogP5.90
Rot. Bonds3

About 2,6-dibromo-N-(1-cyclohexylethyl)-4-methylaniline

2,6-dibromo-N-(1-cyclohexylethyl)-4-methylaniline (PubChem CID 55199408) has the molecular formula C15H21Br2N and a molecular weight of 375.15 g/mol. Its IUPAC name is 2,6-dibromo-N-(1-cyclohexylethyl)-4-methylaniline.

Molecular Properties

Compound Name2,6-dibromo-N-(1-cyclohexylethyl)-4-methylaniline
PubChem CID55199408
Molecular FormulaC15H21Br2N
Molecular Weight375.15 g/mol
Exact Mass373.00
IUPAC Name2,6-dibromo-N-(1-cyclohexylethyl)-4-methylaniline
SMILESCc1cc(Br)c(NC(C)C2CCCCC2)c(Br)c1
InChIInChI=1S/C15H21Br2N/c1-10-8-13(16)15(14(17)9-10)18-11(2)12-6-4-3-5-7-12/h8-9,11-12,18H,3-7H2,1-2H3
InChIKeyGETKMFIBPGLQJU-UHFFFAOYSA-N
XLogP5.90
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.15
LogP ≤ 55.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2,4,6-tribromo-N-(1-cyclopentylethyl)aniline
CID 55200172
3-bromo-N-(1-cyclohexylethyl)-5-methylpyridin-2-amine
CID 105366898
2-bromo-N-(1-cyclohexylethyl)-5-methylaniline
CID 82762032
3-bromo-N-(1-cyclohexylethyl)-4-methylaniline
CID 55192209
N-(1-cyclohexylethyl)-3-methylaniline
CID 43755613
2,5-dibromo-N-(1-cyclohexylethyl)aniline
CID 43789277
5-bromo-N-(1-cyclohexylethyl)-4-methylpyridin-2-amine
CID 114869260
3-bromo-N-(1-cyclohexylethyl)-4-fluoroaniline
CID 113451928
N-(1-cyclohexylethyl)-2,4-dimethylaniline
CID 43755727
N-(1-cyclopentylethyl)-5-methylpyridin-3-amine
CID 115922263
2,6-dibromo-4-methyl-N-(3-methylbutan-2-yl)aniline
CID 43126187
4-bromo-N-(1-cyclopentylethyl)-2-methylaniline
CID 63418980

Frequently Asked Questions

What is the IUPAC name of 2,6-dibromo-N-(1-cyclohexylethyl)-4-methylaniline?
The IUPAC name of 2,6-dibromo-N-(1-cyclohexylethyl)-4-methylaniline (CID 55199408) is 2,6-dibromo-N-(1-cyclohexylethyl)-4-methylaniline.
What is the SMILES notation for 2,6-dibromo-N-(1-cyclohexylethyl)-4-methylaniline?
The canonical SMILES for 2,6-dibromo-N-(1-cyclohexylethyl)-4-methylaniline is Cc1cc(Br)c(NC(C)C2CCCCC2)c(Br)c1.
What is the InChIKey of 2,6-dibromo-N-(1-cyclohexylethyl)-4-methylaniline?
The InChIKey is GETKMFIBPGLQJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21Br2N/c1-10-8-13(16)15(14(17)9-10)18-11(2)12-6-4-3-5-7-12/h8-9,11-12,18H,3-7H2,1-2H3.
What are the key properties of 2,6-dibromo-N-(1-cyclohexylethyl)-4-methylaniline?
2,6-dibromo-N-(1-cyclohexylethyl)-4-methylaniline has a molecular weight of 375.15 g/mol, XLogP of 5.90, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dibromo-N-(1-cyclohexylethyl)-4-methylaniline is sourced from PubChem (CID 55199408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).