2-bromo-N-methyl-N-(4,4,4-trifluorobutyl)cyclohexan-1-amine

C11H19BrF3N — CID 102637217

IUPAC2-bromo-N-methyl-N-(4,4,4-trifluorobutyl)cyclohexan-1-amine
SMILESCN(CCCC(F)(F)F)C1CCCCC1Br
InChIInChI=1S/C11H19BrF3N/c1-16(8-4-7-11(13,14)15)10-6-3-2-5-9(10)12/h9-10H,2-8H2,1H3
InChIKeyMYBMGKXQZNPJOY-UHFFFAOYSA-N
MW302.18 g/mol
LogP3.97
Rot. Bonds4

About 2-bromo-N-methyl-N-(4,4,4-trifluorobutyl)cyclohexan-1-amine

2-bromo-N-methyl-N-(4,4,4-trifluorobutyl)cyclohexan-1-amine (PubChem CID 102637217) has the molecular formula C11H19BrF3N and a molecular weight of 302.18 g/mol. Its IUPAC name is 2-bromo-N-methyl-N-(4,4,4-trifluorobutyl)cyclohexan-1-amine.

Molecular Properties

Compound Name2-bromo-N-methyl-N-(4,4,4-trifluorobutyl)cyclohexan-1-amine
PubChem CID102637217
Molecular FormulaC11H19BrF3N
Molecular Weight302.18 g/mol
Exact Mass301.07
IUPAC Name2-bromo-N-methyl-N-(4,4,4-trifluorobutyl)cyclohexan-1-amine
SMILESCN(CCCC(F)(F)F)C1CCCCC1Br
InChIInChI=1S/C11H19BrF3N/c1-16(8-4-7-11(13,14)15)10-6-3-2-5-9(10)12/h9-10H,2-8H2,1H3
InChIKeyMYBMGKXQZNPJOY-UHFFFAOYSA-N
XLogP3.97
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.18
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-N-methyl-N-nonylcyclohexan-1-amine
CID 102637207
2-(aminomethyl)-N-methyl-N-(4,4,4-trifluorobutyl)cyclopentan-1-amine
CID 115514927
2-bromo-N-(3-ethoxypropyl)-N-methylcyclohexan-1-amine
CID 102637350
N-(2-bromocyclohexyl)-4,4,4-trifluoro-N-methylbutanamide
CID 102638469
2-bromo-N-methyl-N-(4-phenylbutyl)cyclohexan-1-amine
CID 102637342
trans-(1R,2R)-2-[methyl(3,3,3-trifluoropropyl)amino]cyclopentan-1-ol
CID 102734813
N-methyl-N-(4,4,4-trifluorobutyl)piperidin-4-amine
CID 115514843
2-bromo-N-methyl-N-(2-methylpropyl)cyclohexan-1-amine
CID 102637295
N-(2-bromocyclohexyl)-3,3,3-trifluoro-N-methylpropanamide
CID 102638433
2-bromo-N-(3-imidazol-1-ylpropyl)-N-methylcyclohexan-1-amine
CID 102637243
2-bromo-N-methyl-N-[2-(oxolan-2-yl)ethyl]cyclohexan-1-amine
CID 102637312
N'-cyclohexyl-N'-methyl-N-(4,4,4-trifluorobutyl)propane-1,3-diamine
CID 115513573

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-methyl-N-(4,4,4-trifluorobutyl)cyclohexan-1-amine?
The IUPAC name of 2-bromo-N-methyl-N-(4,4,4-trifluorobutyl)cyclohexan-1-amine (CID 102637217) is 2-bromo-N-methyl-N-(4,4,4-trifluorobutyl)cyclohexan-1-amine.
What is the SMILES notation for 2-bromo-N-methyl-N-(4,4,4-trifluorobutyl)cyclohexan-1-amine?
The canonical SMILES for 2-bromo-N-methyl-N-(4,4,4-trifluorobutyl)cyclohexan-1-amine is CN(CCCC(F)(F)F)C1CCCCC1Br.
What is the InChIKey of 2-bromo-N-methyl-N-(4,4,4-trifluorobutyl)cyclohexan-1-amine?
The InChIKey is MYBMGKXQZNPJOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19BrF3N/c1-16(8-4-7-11(13,14)15)10-6-3-2-5-9(10)12/h9-10H,2-8H2,1H3.
What are the key properties of 2-bromo-N-methyl-N-(4,4,4-trifluorobutyl)cyclohexan-1-amine?
2-bromo-N-methyl-N-(4,4,4-trifluorobutyl)cyclohexan-1-amine has a molecular weight of 302.18 g/mol, XLogP of 3.97, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-methyl-N-(4,4,4-trifluorobutyl)cyclohexan-1-amine is sourced from PubChem (CID 102637217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).