4-methyl-N-[2-(2,4,6-tribromophenoxy)ethyl]cyclohexan-1-amine

C15H20Br3NO — CID 63507013

IUPAC4-methyl-N-[2-(2,4,6-tribromophenoxy)ethyl]cyclohexan-1-amine
SMILESCC1CCC(NCCOc2c(Br)cc(Br)cc2Br)CC1
InChIInChI=1S/C15H20Br3NO/c1-10-2-4-12(5-3-10)19-6-7-20-15-13(17)8-11(16)9-14(15)18/h8-10,12,19H,2-7H2,1H3
InChIKeyBOTAKAWVGKKFFV-UHFFFAOYSA-N
MW470.04 g/mol
LogP5.52
Rot. Bonds5

About 4-methyl-N-[2-(2,4,6-tribromophenoxy)ethyl]cyclohexan-1-amine

4-methyl-N-[2-(2,4,6-tribromophenoxy)ethyl]cyclohexan-1-amine (PubChem CID 63507013) has the molecular formula C15H20Br3NO and a molecular weight of 470.04 g/mol. Its IUPAC name is 4-methyl-N-[2-(2,4,6-tribromophenoxy)ethyl]cyclohexan-1-amine.

Molecular Properties

Compound Name4-methyl-N-[2-(2,4,6-tribromophenoxy)ethyl]cyclohexan-1-amine
PubChem CID63507013
Molecular FormulaC15H20Br3NO
Molecular Weight470.04 g/mol
Exact Mass466.91
IUPAC Name4-methyl-N-[2-(2,4,6-tribromophenoxy)ethyl]cyclohexan-1-amine
SMILESCC1CCC(NCCOc2c(Br)cc(Br)cc2Br)CC1
InChIInChI=1S/C15H20Br3NO/c1-10-2-4-12(5-3-10)19-6-7-20-15-13(17)8-11(16)9-14(15)18/h8-10,12,19H,2-7H2,1H3
InChIKeyBOTAKAWVGKKFFV-UHFFFAOYSA-N
XLogP5.52
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.04
LogP ≤ 55.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-methyl-N-[2-(2,4,6-tribromophenoxy)ethyl]cyclohexan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(3,5-dibromo-2-propoxyphenyl)methyl]cyclopropanamine
CID 29225012
N-[2-(2-bromophenoxy)ethyl]-4-methylcyclohexan-1-amine
CID 55093327
N-[2-(4-bromo-3-fluorophenoxy)ethyl]-4-methylcyclohexan-1-amine
CID 65200968
N-[(3,5-dibromo-2-propoxyphenyl)methyl]cyclooctanamine
CID 29225030
N-[2-(2,6-dibromophenoxy)ethyl]cyclopentanamine
CID 62599325
N-[2-(3,5-difluorophenoxy)ethyl]-4-methylcyclohexan-1-amine
CID 62784905
N-[2-(2,6-dibromophenoxy)ethyl]cyclohexanamine
CID 63505937
N-[(3,5-dibromo-2-methoxyphenyl)methyl]cyclopropanamine
CID 4719896
N-[2-(4-chloro-3-methylphenoxy)ethyl]-4-methylcyclohexan-1-amine
CID 63504887
N-[2-(2,3,4,5,6-pentachlorophenoxy)ethyl]cyclopropanamine
CID 55195724
N-[2-(3-ethoxyphenoxy)ethyl]-4-methylcyclohexan-1-amine
CID 62584366
2-methyl-N-[2-(2,4,6-tribromophenoxy)ethyl]propan-2-amine
CID 63501413

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[2-(2,4,6-tribromophenoxy)ethyl]cyclohexan-1-amine?
The IUPAC name of 4-methyl-N-[2-(2,4,6-tribromophenoxy)ethyl]cyclohexan-1-amine (CID 63507013) is 4-methyl-N-[2-(2,4,6-tribromophenoxy)ethyl]cyclohexan-1-amine.
What is the SMILES notation for 4-methyl-N-[2-(2,4,6-tribromophenoxy)ethyl]cyclohexan-1-amine?
The canonical SMILES for 4-methyl-N-[2-(2,4,6-tribromophenoxy)ethyl]cyclohexan-1-amine is CC1CCC(NCCOc2c(Br)cc(Br)cc2Br)CC1.
What is the InChIKey of 4-methyl-N-[2-(2,4,6-tribromophenoxy)ethyl]cyclohexan-1-amine?
The InChIKey is BOTAKAWVGKKFFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20Br3NO/c1-10-2-4-12(5-3-10)19-6-7-20-15-13(17)8-11(16)9-14(15)18/h8-10,12,19H,2-7H2,1H3.
What are the key properties of 4-methyl-N-[2-(2,4,6-tribromophenoxy)ethyl]cyclohexan-1-amine?
4-methyl-N-[2-(2,4,6-tribromophenoxy)ethyl]cyclohexan-1-amine has a molecular weight of 470.04 g/mol, XLogP of 5.52, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[2-(2,4,6-tribromophenoxy)ethyl]cyclohexan-1-amine is sourced from PubChem (CID 63507013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).