2-(5-bromo-2-fluorophenyl)-1-(4,4-dimethylcyclohexyl)-N-methylethanamine

C17H25BrFN — CID 65392217

IUPAC2-(5-bromo-2-fluorophenyl)-1-(4,4-dimethylcyclohexyl)-N-methylethanamine
SMILESCNC(Cc1cc(Br)ccc1F)C1CCC(C)(C)CC1
InChIInChI=1S/C17H25BrFN/c1-17(2)8-6-12(7-9-17)16(20-3)11-13-10-14(18)4-5-15(13)19/h4-5,10,12,16,20H,6-9,11H2,1-3H3
InChIKeyMZZWOZHQXRWXSV-UHFFFAOYSA-N
MW342.30 g/mol
LogP4.94
Rot. Bonds4

About 2-(5-bromo-2-fluorophenyl)-1-(4,4-dimethylcyclohexyl)-N-methylethanamine

2-(5-bromo-2-fluorophenyl)-1-(4,4-dimethylcyclohexyl)-N-methylethanamine (PubChem CID 65392217) has the molecular formula C17H25BrFN and a molecular weight of 342.30 g/mol. Its IUPAC name is 2-(5-bromo-2-fluorophenyl)-1-(4,4-dimethylcyclohexyl)-N-methylethanamine.

Molecular Properties

Compound Name2-(5-bromo-2-fluorophenyl)-1-(4,4-dimethylcyclohexyl)-N-methylethanamine
PubChem CID65392217
Molecular FormulaC17H25BrFN
Molecular Weight342.30 g/mol
Exact Mass341.12
IUPAC Name2-(5-bromo-2-fluorophenyl)-1-(4,4-dimethylcyclohexyl)-N-methylethanamine
SMILESCNC(Cc1cc(Br)ccc1F)C1CCC(C)(C)CC1
InChIInChI=1S/C17H25BrFN/c1-17(2)8-6-12(7-9-17)16(20-3)11-13-10-14(18)4-5-15(13)19/h4-5,10,12,16,20H,6-9,11H2,1-3H3
InChIKeyMZZWOZHQXRWXSV-UHFFFAOYSA-N
XLogP4.94
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.30
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(5-bromo-2-fluorophenyl)-1-(4,4-dimethylcyclohexyl)-N-ethylethanamine
CID 65391044
2-(3-bromo-4-fluorophenyl)-1-(4,4-dimethylcyclohexyl)-N-methylethanamine
CID 65390837
2-(5-bromo-2-fluorophenyl)-1-cyclopropyl-N-ethylethanamine
CID 62600408
1-cycloheptyl-2-(2,5-difluorophenyl)-N-methylethanamine
CID 65399564
2-(2,5-difluorophenyl)-1-(4,4-dimethylcyclohexyl)-N-ethylethanamine
CID 65390250
2-(2-chloro-3-fluorophenyl)-1-(4,4-dimethylcyclohexyl)-N-methylethanamine
CID 115983806
2-(5-chloro-2-fluorophenyl)-1-(4,4-dimethylcyclohexyl)-N-ethylethanamine
CID 103048770
2-(5-bromo-2-fluorophenyl)-1-(3-ethyl-1,4-dithian-2-yl)-N-methylethanamine
CID 115387818
2-(5-bromo-2-fluorophenyl)-1-(2,3-dihydro-1H-inden-1-yl)-N-methylethanamine
CID 65404945
[2-(5-bromo-2-fluorophenyl)-1-(3,3-difluorocyclohexyl)ethyl]hydrazine
CID 114216932
2-(5-bromo-2-fluorophenyl)-1-cyclohexylethanamine
CID 55095635
[2-(5-bromo-2-fluorophenyl)-1-(1-methylcyclopropyl)ethyl]hydrazine
CID 105253385

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2-fluorophenyl)-1-(4,4-dimethylcyclohexyl)-N-methylethanamine?
The IUPAC name of 2-(5-bromo-2-fluorophenyl)-1-(4,4-dimethylcyclohexyl)-N-methylethanamine (CID 65392217) is 2-(5-bromo-2-fluorophenyl)-1-(4,4-dimethylcyclohexyl)-N-methylethanamine.
What is the SMILES notation for 2-(5-bromo-2-fluorophenyl)-1-(4,4-dimethylcyclohexyl)-N-methylethanamine?
The canonical SMILES for 2-(5-bromo-2-fluorophenyl)-1-(4,4-dimethylcyclohexyl)-N-methylethanamine is CNC(Cc1cc(Br)ccc1F)C1CCC(C)(C)CC1.
What is the InChIKey of 2-(5-bromo-2-fluorophenyl)-1-(4,4-dimethylcyclohexyl)-N-methylethanamine?
The InChIKey is MZZWOZHQXRWXSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25BrFN/c1-17(2)8-6-12(7-9-17)16(20-3)11-13-10-14(18)4-5-15(13)19/h4-5,10,12,16,20H,6-9,11H2,1-3H3.
What are the key properties of 2-(5-bromo-2-fluorophenyl)-1-(4,4-dimethylcyclohexyl)-N-methylethanamine?
2-(5-bromo-2-fluorophenyl)-1-(4,4-dimethylcyclohexyl)-N-methylethanamine has a molecular weight of 342.30 g/mol, XLogP of 4.94, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2-fluorophenyl)-1-(4,4-dimethylcyclohexyl)-N-methylethanamine is sourced from PubChem (CID 65392217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).