2,5-dibromo-N-(1-cyclohexylethyl)aniline

C14H19Br2N — CID 43789277

IUPAC2,5-dibromo-N-(1-cyclohexylethyl)aniline
SMILESCC(Nc1cc(Br)ccc1Br)C1CCCCC1
InChIInChI=1S/C14H19Br2N/c1-10(11-5-3-2-4-6-11)17-14-9-12(15)7-8-13(14)16/h7-11,17H,2-6H2,1H3
InChIKeyJDISHPMNJRCPFX-UHFFFAOYSA-N
MW361.12 g/mol
LogP5.59
Rot. Bonds3

About 2,5-dibromo-N-(1-cyclohexylethyl)aniline

2,5-dibromo-N-(1-cyclohexylethyl)aniline (PubChem CID 43789277) has the molecular formula C14H19Br2N and a molecular weight of 361.12 g/mol. Its IUPAC name is 2,5-dibromo-N-(1-cyclohexylethyl)aniline.

Molecular Properties

Compound Name2,5-dibromo-N-(1-cyclohexylethyl)aniline
PubChem CID43789277
Molecular FormulaC14H19Br2N
Molecular Weight361.12 g/mol
Exact Mass358.99
IUPAC Name2,5-dibromo-N-(1-cyclohexylethyl)aniline
SMILESCC(Nc1cc(Br)ccc1Br)C1CCCCC1
InChIInChI=1S/C14H19Br2N/c1-10(11-5-3-2-4-6-11)17-14-9-12(15)7-8-13(14)16/h7-11,17H,2-6H2,1H3
InChIKeyJDISHPMNJRCPFX-UHFFFAOYSA-N
XLogP5.59
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.12
LogP ≤ 55.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-bromo-N-(1-cyclohexylethyl)-5-methylaniline
CID 82762032
4-bromo-2-N-(1-cyclohexylethyl)-1-N,1-N-dimethylbenzene-1,2-diamine
CID 43791142
5-bromo-N-(1-cyclopentylethyl)-2-fluoroaniline
CID 63424276
4-bromo-N-(1-cyclopentylethyl)-2-methylaniline
CID 63418980
4-bromo-2-N-(1-cyclopropylethyl)-1-N,1-N-dimethylbenzene-1,2-diamine
CID 43746274
3-bromo-N-(1-cyclopentylethyl)pyridin-4-amine
CID 104777077
2,4,6-tribromo-N-(1-cyclopentylethyl)aniline
CID 55200172
(1S)-1-cycloheptyl-N-[1-(2,4-dibromophenyl)ethyl]ethanamine
CID 81391306
5-bromo-6-(1-cyclohexylethylamino)-1,3-dihydrobenzimidazol-2-one
CID 43790096
2,5-dibromo-N-(1-cyclopropylpropyl)aniline
CID 64919710
2,6-dibromo-N-(1-cyclohexylethyl)-4-methylaniline
CID 55199408
3-bromo-N-(1-cyclohexylethyl)-4-methylaniline
CID 55192209

Frequently Asked Questions

What is the IUPAC name of 2,5-dibromo-N-(1-cyclohexylethyl)aniline?
The IUPAC name of 2,5-dibromo-N-(1-cyclohexylethyl)aniline (CID 43789277) is 2,5-dibromo-N-(1-cyclohexylethyl)aniline.
What is the SMILES notation for 2,5-dibromo-N-(1-cyclohexylethyl)aniline?
The canonical SMILES for 2,5-dibromo-N-(1-cyclohexylethyl)aniline is CC(Nc1cc(Br)ccc1Br)C1CCCCC1.
What is the InChIKey of 2,5-dibromo-N-(1-cyclohexylethyl)aniline?
The InChIKey is JDISHPMNJRCPFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19Br2N/c1-10(11-5-3-2-4-6-11)17-14-9-12(15)7-8-13(14)16/h7-11,17H,2-6H2,1H3.
What are the key properties of 2,5-dibromo-N-(1-cyclohexylethyl)aniline?
2,5-dibromo-N-(1-cyclohexylethyl)aniline has a molecular weight of 361.12 g/mol, XLogP of 5.59, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dibromo-N-(1-cyclohexylethyl)aniline is sourced from PubChem (CID 43789277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).