2,4-dibromo-6-[[cyclohexyl(methyl)amino]methyl]aniline

C14H20Br2N2 — CID 2442

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IUPAC2,4-dibromo-6-[[cyclohexyl(methyl)amino]methyl]aniline
SMILESCN(Cc1cc(Br)cc(Br)c1N)C1CCCCC1
InChIInChI=1S/C14H20Br2N2/c1-18(12-5-3-2-4-6-12)9-10-7-11(15)8-13(16)14(10)17/h7-8,12H,2-6,9,17H2,1H3
InChIKeyOJGDCBLYJGHCIH-UHFFFAOYSA-N
MW376.14 g/mol
LogP4.56
Rot. Bonds3

About 2,4-dibromo-6-[[cyclohexyl(methyl)amino]methyl]aniline

2,4-dibromo-6-[[cyclohexyl(methyl)amino]methyl]aniline (PubChem CID 2442) has the molecular formula C14H20Br2N2 and a molecular weight of 376.14 g/mol. Its IUPAC name is 2,4-dibromo-6-[[cyclohexyl(methyl)amino]methyl]aniline.

Molecular Properties

Compound Name2,4-dibromo-6-[[cyclohexyl(methyl)amino]methyl]aniline
PubChem CID2442
Molecular FormulaC14H20Br2N2
Molecular Weight376.14 g/mol
Exact Mass374.00
IUPAC Name2,4-dibromo-6-[[cyclohexyl(methyl)amino]methyl]aniline
SMILESCN(Cc1cc(Br)cc(Br)c1N)C1CCCCC1
InChIInChI=1S/C14H20Br2N2/c1-18(12-5-3-2-4-6-12)9-10-7-11(15)8-13(16)14(10)17/h7-8,12H,2-6,9,17H2,1H3
InChIKeyOJGDCBLYJGHCIH-UHFFFAOYSA-N
XLogP4.56
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.14
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

Bromhexine Hydrochloride
CID 5702220
Benzenemethanamine, 2-amino-5-bromo-N-cyclohexyl-N-ethyl-3-methyl-, dihydrochloride
CID 3043342
Benzenemethanamine, 2-amino-3-bromo-N-cyclohexyl-5-(1,1-dimethylethyl)-N-methyl-, hydrochloride (1:1)
CID 3044883
Benzenemethanamine, 2-amino-3-bromo-N,N-dimethyl-5-fluoro-, monohydrochloride
CID 3044889
Benzenemethanamine, 2-amino-5-bromo-N-cyclohexyl-N-ethyl-3-fluoro-, monohydrochloride
CID 3044891
Benzenemethanamine, 2-amino-5-bromo-N,N-dimethyl-3-fluoro-, monohydrochloride
CID 3045080
Propanamide, N-(2,4-dibromo-6-((cyclohexylmethylamino)methyl)phenyl)-, monohydrochloride
CID 3054561
Butanamide, N-(2,4-dibromo-6-((cyclohexylmethylamino)methyl)phenyl)-, monohydrochloride
CID 3054563
4-Bromo-2-((cyclohexyl(methyl)amino)methyl)aniline
CID 14549853
2,4-Dibromo-6-((cyclohexyl-methyl-amino)-methyl)-phenylamine hydrobromide
CID 90471466
Bromhexine N-Oxide
CID 129318364
N-Cyclohexyl-N-methyl-(2-amino-3,5-dibrombenzyl)-ammonium-chlorid
CID 43833350

Frequently Asked Questions

What is the IUPAC name of 2,4-dibromo-6-[[cyclohexyl(methyl)amino]methyl]aniline?
The IUPAC name of 2,4-dibromo-6-[[cyclohexyl(methyl)amino]methyl]aniline (CID 2442) is 2,4-dibromo-6-[[cyclohexyl(methyl)amino]methyl]aniline.
What is the SMILES notation for 2,4-dibromo-6-[[cyclohexyl(methyl)amino]methyl]aniline?
The canonical SMILES for 2,4-dibromo-6-[[cyclohexyl(methyl)amino]methyl]aniline is CN(Cc1cc(Br)cc(Br)c1N)C1CCCCC1.
What is the InChIKey of 2,4-dibromo-6-[[cyclohexyl(methyl)amino]methyl]aniline?
The InChIKey is OJGDCBLYJGHCIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20Br2N2/c1-18(12-5-3-2-4-6-12)9-10-7-11(15)8-13(16)14(10)17/h7-8,12H,2-6,9,17H2,1H3.
What are the key properties of 2,4-dibromo-6-[[cyclohexyl(methyl)amino]methyl]aniline?
2,4-dibromo-6-[[cyclohexyl(methyl)amino]methyl]aniline has a molecular weight of 376.14 g/mol, XLogP of 4.56, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dibromo-6-[[cyclohexyl(methyl)amino]methyl]aniline is sourced from PubChem (CID 2442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).