(2-amino-3,5-dibromophenyl)methyl-cyclohexyl-methylazanium chloride

C14H21Br2ClN2 — CID 43833350

IUPAC(2-amino-3,5-dibromophenyl)methyl-cyclohexyl-methylazanium chloride
SMILESC[NH+](Cc1cc(Br)cc(Br)c1N)C1CCCCC1.[Cl-]
InChIInChI=1S/C14H20Br2N2.ClH/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;1H
InChIKeyUCDKONUHZNTQPY-UHFFFAOYSA-N
MW412.60 g/mol
LogP0.15
Rot. Bonds3

About (2-amino-3,5-dibromophenyl)methyl-cyclohexyl-methylazanium chloride

(2-amino-3,5-dibromophenyl)methyl-cyclohexyl-methylazanium chloride (PubChem CID 43833350) has the molecular formula C14H21Br2ClN2 and a molecular weight of 412.60 g/mol. Its IUPAC name is (2-amino-3,5-dibromophenyl)methyl-cyclohexyl-methylazanium chloride.

Molecular Properties

Compound Name(2-amino-3,5-dibromophenyl)methyl-cyclohexyl-methylazanium chloride
PubChem CID43833350
Molecular FormulaC14H21Br2ClN2
Molecular Weight412.60 g/mol
Exact Mass409.98
IUPAC Name(2-amino-3,5-dibromophenyl)methyl-cyclohexyl-methylazanium chloride
SMILESC[NH+](Cc1cc(Br)cc(Br)c1N)C1CCCCC1.[Cl-]
InChIInChI=1S/C14H20Br2N2.ClH/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;1H
InChIKeyUCDKONUHZNTQPY-UHFFFAOYSA-N
XLogP0.15
TPSA30.46 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.60
LogP ≤ 50.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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-amino-3,5-dibromophenyl)methyl-cyclohexyl-methylazanium chloride?
The IUPAC name of (2-amino-3,5-dibromophenyl)methyl-cyclohexyl-methylazanium chloride (CID 43833350) is (2-amino-3,5-dibromophenyl)methyl-cyclohexyl-methylazanium chloride.
What is the SMILES notation for (2-amino-3,5-dibromophenyl)methyl-cyclohexyl-methylazanium chloride?
The canonical SMILES for (2-amino-3,5-dibromophenyl)methyl-cyclohexyl-methylazanium chloride is C[NH+](Cc1cc(Br)cc(Br)c1N)C1CCCCC1.[Cl-].
What is the InChIKey of (2-amino-3,5-dibromophenyl)methyl-cyclohexyl-methylazanium chloride?
The InChIKey is UCDKONUHZNTQPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20Br2N2.ClH/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;1H.
What are the key properties of (2-amino-3,5-dibromophenyl)methyl-cyclohexyl-methylazanium chloride?
(2-amino-3,5-dibromophenyl)methyl-cyclohexyl-methylazanium chloride has a molecular weight of 412.60 g/mol, XLogP of 0.15, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-3,5-dibromophenyl)methyl-cyclohexyl-methylazanium chloride is sourced from PubChem (CID 43833350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).