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

C16H23BrFNO — CID 43531305

IUPAC[2-(4-bromo-2-fluorophenoxy)-4-propylcyclohexyl]methanamine
SMILESCCCC1CCC(CN)C(Oc2ccc(Br)cc2F)C1
InChIInChI=1S/C16H23BrFNO/c1-2-3-11-4-5-12(10-19)16(8-11)20-15-7-6-13(17)9-14(15)18/h6-7,9,11-12,16H,2-5,8,10,19H2,1H3
InChIKeyAEWKENPMIBHCQQ-UHFFFAOYSA-N
MW344.27 g/mol
LogP4.51
Rot. Bonds5

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

[2-(4-bromo-2-fluorophenoxy)-4-propylcyclohexyl]methanamine (PubChem CID 43531305) has the molecular formula C16H23BrFNO and a molecular weight of 344.27 g/mol. Its IUPAC name is [2-(4-bromo-2-fluorophenoxy)-4-propylcyclohexyl]methanamine.

Molecular Properties

Compound Name[2-(4-bromo-2-fluorophenoxy)-4-propylcyclohexyl]methanamine
PubChem CID43531305
Molecular FormulaC16H23BrFNO
Molecular Weight344.27 g/mol
Exact Mass343.09
IUPAC Name[2-(4-bromo-2-fluorophenoxy)-4-propylcyclohexyl]methanamine
SMILESCCCC1CCC(CN)C(Oc2ccc(Br)cc2F)C1
InChIInChI=1S/C16H23BrFNO/c1-2-3-11-4-5-12(10-19)16(8-11)20-15-7-6-13(17)9-14(15)18/h6-7,9,11-12,16H,2-5,8,10,19H2,1H3
InChIKeyAEWKENPMIBHCQQ-UHFFFAOYSA-N
XLogP4.51
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.27
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [2-(4-bromo-2-fluorophenoxy)-4-propylcyclohexyl]methanamine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [2-(4-bromo-2-fluorophenoxy)-4-propylcyclohexyl]methanamine?
The IUPAC name of [2-(4-bromo-2-fluorophenoxy)-4-propylcyclohexyl]methanamine (CID 43531305) is [2-(4-bromo-2-fluorophenoxy)-4-propylcyclohexyl]methanamine.
What is the SMILES notation for [2-(4-bromo-2-fluorophenoxy)-4-propylcyclohexyl]methanamine?
The canonical SMILES for [2-(4-bromo-2-fluorophenoxy)-4-propylcyclohexyl]methanamine is CCCC1CCC(CN)C(Oc2ccc(Br)cc2F)C1.
What is the InChIKey of [2-(4-bromo-2-fluorophenoxy)-4-propylcyclohexyl]methanamine?
The InChIKey is AEWKENPMIBHCQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23BrFNO/c1-2-3-11-4-5-12(10-19)16(8-11)20-15-7-6-13(17)9-14(15)18/h6-7,9,11-12,16H,2-5,8,10,19H2,1H3.
What are the key properties of [2-(4-bromo-2-fluorophenoxy)-4-propylcyclohexyl]methanamine?
[2-(4-bromo-2-fluorophenoxy)-4-propylcyclohexyl]methanamine has a molecular weight of 344.27 g/mol, XLogP of 4.51, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-bromo-2-fluorophenoxy)-4-propylcyclohexyl]methanamine is sourced from PubChem (CID 43531305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).