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

C14H20Br2N2 — CID 11291924

IUPAC2,4-dibromo-6-[[cyclohexyl(methyl)amino]-ditritiomethyl]aniline
SMILES[3H]C([3H])(c1cc(Br)cc(Br)c1N)N(C)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/i9T2
InChIKeyOJGDCBLYJGHCIH-ZRPMTONJSA-N
MW380.15 g/mol
LogP4.56
Rot. Bonds3

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

2,4-dibromo-6-[[cyclohexyl(methyl)amino]-ditritiomethyl]aniline (PubChem CID 11291924) has the molecular formula C14H20Br2N2 and a molecular weight of 380.15 g/mol. Its IUPAC name is 2,4-dibromo-6-[[cyclohexyl(methyl)amino]-ditritiomethyl]aniline.

Molecular Properties

Compound Name2,4-dibromo-6-[[cyclohexyl(methyl)amino]-ditritiomethyl]aniline
PubChem CID11291924
Molecular FormulaC14H20Br2N2
Molecular Weight380.15 g/mol
Exact Mass378.02
IUPAC Name2,4-dibromo-6-[[cyclohexyl(methyl)amino]-ditritiomethyl]aniline
SMILES[3H]C([3H])(c1cc(Br)cc(Br)c1N)N(C)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/i9T2
InChIKeyOJGDCBLYJGHCIH-ZRPMTONJSA-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 ≤ 500380.15
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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Frequently Asked Questions

What is the IUPAC name of 2,4-dibromo-6-[[cyclohexyl(methyl)amino]-ditritiomethyl]aniline?
The IUPAC name of 2,4-dibromo-6-[[cyclohexyl(methyl)amino]-ditritiomethyl]aniline (CID 11291924) is 2,4-dibromo-6-[[cyclohexyl(methyl)amino]-ditritiomethyl]aniline.
What is the SMILES notation for 2,4-dibromo-6-[[cyclohexyl(methyl)amino]-ditritiomethyl]aniline?
The canonical SMILES for 2,4-dibromo-6-[[cyclohexyl(methyl)amino]-ditritiomethyl]aniline is [3H]C([3H])(c1cc(Br)cc(Br)c1N)N(C)C1CCCCC1.
What is the InChIKey of 2,4-dibromo-6-[[cyclohexyl(methyl)amino]-ditritiomethyl]aniline?
The InChIKey is OJGDCBLYJGHCIH-ZRPMTONJSA-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/i9T2.
What are the key properties of 2,4-dibromo-6-[[cyclohexyl(methyl)amino]-ditritiomethyl]aniline?
2,4-dibromo-6-[[cyclohexyl(methyl)amino]-ditritiomethyl]aniline has a molecular weight of 380.15 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]-ditritiomethyl]aniline is sourced from PubChem (CID 11291924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).