[2-(2-bromo-4-fluorophenoxy)-4-ethylcyclohexyl]methanamine

C15H21BrFNO — CID 43531026

IUPAC[2-(2-bromo-4-fluorophenoxy)-4-ethylcyclohexyl]methanamine
SMILESCCC1CCC(CN)C(Oc2ccc(F)cc2Br)C1
InChIInChI=1S/C15H21BrFNO/c1-2-10-3-4-11(9-18)15(7-10)19-14-6-5-12(17)8-13(14)16/h5-6,8,10-11,15H,2-4,7,9,18H2,1H3
InChIKeyPQOJMYBBUADSDC-UHFFFAOYSA-N
MW330.24 g/mol
LogP4.12
Rot. Bonds4

About [2-(2-bromo-4-fluorophenoxy)-4-ethylcyclohexyl]methanamine

[2-(2-bromo-4-fluorophenoxy)-4-ethylcyclohexyl]methanamine (PubChem CID 43531026) has the molecular formula C15H21BrFNO and a molecular weight of 330.24 g/mol. Its IUPAC name is [2-(2-bromo-4-fluorophenoxy)-4-ethylcyclohexyl]methanamine.

Molecular Properties

Compound Name[2-(2-bromo-4-fluorophenoxy)-4-ethylcyclohexyl]methanamine
PubChem CID43531026
Molecular FormulaC15H21BrFNO
Molecular Weight330.24 g/mol
Exact Mass329.08
IUPAC Name[2-(2-bromo-4-fluorophenoxy)-4-ethylcyclohexyl]methanamine
SMILESCCC1CCC(CN)C(Oc2ccc(F)cc2Br)C1
InChIInChI=1S/C15H21BrFNO/c1-2-10-3-4-11(9-18)15(7-10)19-14-6-5-12(17)8-13(14)16/h5-6,8,10-11,15H,2-4,7,9,18H2,1H3
InChIKeyPQOJMYBBUADSDC-UHFFFAOYSA-N
XLogP4.12
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.24
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [2-(2-bromo-4-fluorophenoxy)-4-ethylcyclohexyl]methanamine?
The IUPAC name of [2-(2-bromo-4-fluorophenoxy)-4-ethylcyclohexyl]methanamine (CID 43531026) is [2-(2-bromo-4-fluorophenoxy)-4-ethylcyclohexyl]methanamine.
What is the SMILES notation for [2-(2-bromo-4-fluorophenoxy)-4-ethylcyclohexyl]methanamine?
The canonical SMILES for [2-(2-bromo-4-fluorophenoxy)-4-ethylcyclohexyl]methanamine is CCC1CCC(CN)C(Oc2ccc(F)cc2Br)C1.
What is the InChIKey of [2-(2-bromo-4-fluorophenoxy)-4-ethylcyclohexyl]methanamine?
The InChIKey is PQOJMYBBUADSDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrFNO/c1-2-10-3-4-11(9-18)15(7-10)19-14-6-5-12(17)8-13(14)16/h5-6,8,10-11,15H,2-4,7,9,18H2,1H3.
What are the key properties of [2-(2-bromo-4-fluorophenoxy)-4-ethylcyclohexyl]methanamine?
[2-(2-bromo-4-fluorophenoxy)-4-ethylcyclohexyl]methanamine has a molecular weight of 330.24 g/mol, XLogP of 4.12, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-bromo-4-fluorophenoxy)-4-ethylcyclohexyl]methanamine is sourced from PubChem (CID 43531026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).