[2-(3-bromo-2-fluorophenyl)-4-ethylcyclohexyl]methanamine

C15H21BrFN — CID 106646962

IUPAC[2-(3-bromo-2-fluorophenyl)-4-ethylcyclohexyl]methanamine
SMILESCCC1CCC(CN)C(c2cccc(Br)c2F)C1
InChIInChI=1S/C15H21BrFN/c1-2-10-6-7-11(9-18)13(8-10)12-4-3-5-14(16)15(12)17/h3-5,10-11,13H,2,6-9,18H2,1H3
InChIKeySHUYBCPGWFSSJR-UHFFFAOYSA-N
MW314.24 g/mol
LogP4.46
Rot. Bonds3

About [2-(3-bromo-2-fluorophenyl)-4-ethylcyclohexyl]methanamine

[2-(3-bromo-2-fluorophenyl)-4-ethylcyclohexyl]methanamine (PubChem CID 106646962) has the molecular formula C15H21BrFN and a molecular weight of 314.24 g/mol. Its IUPAC name is [2-(3-bromo-2-fluorophenyl)-4-ethylcyclohexyl]methanamine.

Molecular Properties

Compound Name[2-(3-bromo-2-fluorophenyl)-4-ethylcyclohexyl]methanamine
PubChem CID106646962
Molecular FormulaC15H21BrFN
Molecular Weight314.24 g/mol
Exact Mass313.08
IUPAC Name[2-(3-bromo-2-fluorophenyl)-4-ethylcyclohexyl]methanamine
SMILESCCC1CCC(CN)C(c2cccc(Br)c2F)C1
InChIInChI=1S/C15H21BrFN/c1-2-10-6-7-11(9-18)13(8-10)12-4-3-5-14(16)15(12)17/h3-5,10-11,13H,2,6-9,18H2,1H3
InChIKeySHUYBCPGWFSSJR-UHFFFAOYSA-N
XLogP4.46
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.24
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze [2-(3-bromo-2-fluorophenyl)-4-ethylcyclohexyl]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-(3-bromo-2-fluorophenyl)-4-ethylcyclohexyl]methanamine?
The IUPAC name of [2-(3-bromo-2-fluorophenyl)-4-ethylcyclohexyl]methanamine (CID 106646962) is [2-(3-bromo-2-fluorophenyl)-4-ethylcyclohexyl]methanamine.
What is the SMILES notation for [2-(3-bromo-2-fluorophenyl)-4-ethylcyclohexyl]methanamine?
The canonical SMILES for [2-(3-bromo-2-fluorophenyl)-4-ethylcyclohexyl]methanamine is CCC1CCC(CN)C(c2cccc(Br)c2F)C1.
What is the InChIKey of [2-(3-bromo-2-fluorophenyl)-4-ethylcyclohexyl]methanamine?
The InChIKey is SHUYBCPGWFSSJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrFN/c1-2-10-6-7-11(9-18)13(8-10)12-4-3-5-14(16)15(12)17/h3-5,10-11,13H,2,6-9,18H2,1H3.
What are the key properties of [2-(3-bromo-2-fluorophenyl)-4-ethylcyclohexyl]methanamine?
[2-(3-bromo-2-fluorophenyl)-4-ethylcyclohexyl]methanamine has a molecular weight of 314.24 g/mol, XLogP of 4.46, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-bromo-2-fluorophenyl)-4-ethylcyclohexyl]methanamine is sourced from PubChem (CID 106646962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).