[2-[[cyclohexyl(methyl)amino]methyl]phenyl] selenohypobromite

C14H20BrNSe — CID 102064196

IUPAC[2-[[cyclohexyl(methyl)amino]methyl]phenyl] selenohypobromite
SMILESCN(Cc1ccccc1[Se]Br)C1CCCCC1
InChIInChI=1S/C14H20BrNSe/c1-16(13-8-3-2-4-9-13)11-12-7-5-6-10-14(12)17-15/h5-7,10,13H,2-4,8-9,11H2,1H3
InChIKeyCPNRHSCQXPOTRV-UHFFFAOYSA-N
MW361.19 g/mol
LogP3.09
Rot. Bonds4

About [2-[[cyclohexyl(methyl)amino]methyl]phenyl] selenohypobromite

[2-[[cyclohexyl(methyl)amino]methyl]phenyl] selenohypobromite (PubChem CID 102064196) has the molecular formula C14H20BrNSe and a molecular weight of 361.19 g/mol. Its IUPAC name is [2-[[cyclohexyl(methyl)amino]methyl]phenyl] selenohypobromite.

Molecular Properties

Compound Name[2-[[cyclohexyl(methyl)amino]methyl]phenyl] selenohypobromite
PubChem CID102064196
Molecular FormulaC14H20BrNSe
Molecular Weight361.19 g/mol
Exact Mass360.99
IUPAC Name[2-[[cyclohexyl(methyl)amino]methyl]phenyl] selenohypobromite
SMILESCN(Cc1ccccc1[Se]Br)C1CCCCC1
InChIInChI=1S/C14H20BrNSe/c1-16(13-8-3-2-4-9-13)11-12-7-5-6-10-14(12)17-15/h5-7,10,13H,2-4,8-9,11H2,1H3
InChIKeyCPNRHSCQXPOTRV-UHFFFAOYSA-N
XLogP3.09
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.19
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze [2-[[cyclohexyl(methyl)amino]methyl]phenyl] selenohypobromite 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

2-[[cyclopentyl(methyl)amino]methyl]aniline
CID 43266778
2-[[cyclohexyl(methyl)amino]methyl]benzenecarbothioamide
CID 24707191
N-[(2-chloro-3-pyridinyl)methyl]-N-methylcycloheptanamine
CID 62470734
N-[(2-methanehydrazonoylphenyl)methyl]-N-methylcyclohexanamine
CID 168529451
N-methyl-N-[[2-(propylaminomethyl)phenyl]methyl]cyclohexanamine
CID 62422996
2-[[cyclohexyl(methyl)amino]methyl]-6-fluorophenol
CID 112616052
2-[[[4-[(2-hydroxyphenyl)methyl-methylamino]cyclohexyl]-methylamino]methyl]phenol
CID 118815979
2-[[cyclohexyl(methyl)amino]methyl]-N-(4-methylphenyl)aniline
CID 143075076
2-[[cyclopentyl(methyl)amino]methyl]-6-methoxyphenol
CID 82974737
N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]-2-(2-methoxyphenyl)acetamide
CID 51307622
3-[[cyclopentyl(methyl)amino]methyl]-2-fluorobenzonitrile
CID 103912018
N-[(2-bromophenyl)methyl]-N-methylpiperidin-4-amine;hydrochloride
CID 119912776

Frequently Asked Questions

What is the IUPAC name of [2-[[cyclohexyl(methyl)amino]methyl]phenyl] selenohypobromite?
The IUPAC name of [2-[[cyclohexyl(methyl)amino]methyl]phenyl] selenohypobromite (CID 102064196) is [2-[[cyclohexyl(methyl)amino]methyl]phenyl] selenohypobromite.
What is the SMILES notation for [2-[[cyclohexyl(methyl)amino]methyl]phenyl] selenohypobromite?
The canonical SMILES for [2-[[cyclohexyl(methyl)amino]methyl]phenyl] selenohypobromite is CN(Cc1ccccc1[Se]Br)C1CCCCC1.
What is the InChIKey of [2-[[cyclohexyl(methyl)amino]methyl]phenyl] selenohypobromite?
The InChIKey is CPNRHSCQXPOTRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrNSe/c1-16(13-8-3-2-4-9-13)11-12-7-5-6-10-14(12)17-15/h5-7,10,13H,2-4,8-9,11H2,1H3.
What are the key properties of [2-[[cyclohexyl(methyl)amino]methyl]phenyl] selenohypobromite?
[2-[[cyclohexyl(methyl)amino]methyl]phenyl] selenohypobromite has a molecular weight of 361.19 g/mol, XLogP of 3.09, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[cyclohexyl(methyl)amino]methyl]phenyl] selenohypobromite is sourced from PubChem (CID 102064196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).