[4-ethyl-2-(2,3,5-trimethylphenoxy)cyclohexyl]methanamine

C18H29NO — CID 43294100

IUPAC[4-ethyl-2-(2,3,5-trimethylphenoxy)cyclohexyl]methanamine
SMILESCCC1CCC(CN)C(Oc2cc(C)cc(C)c2C)C1
InChIInChI=1S/C18H29NO/c1-5-15-6-7-16(11-19)18(10-15)20-17-9-12(2)8-13(3)14(17)4/h8-9,15-16,18H,5-7,10-11,19H2,1-4H3
InChIKeyKPTAJCOKZFHMCW-UHFFFAOYSA-N
MW275.44 g/mol
LogP4.14
Rot. Bonds4

About [4-ethyl-2-(2,3,5-trimethylphenoxy)cyclohexyl]methanamine

[4-ethyl-2-(2,3,5-trimethylphenoxy)cyclohexyl]methanamine (PubChem CID 43294100) has the molecular formula C18H29NO and a molecular weight of 275.44 g/mol. Its IUPAC name is [4-ethyl-2-(2,3,5-trimethylphenoxy)cyclohexyl]methanamine.

Molecular Properties

Compound Name[4-ethyl-2-(2,3,5-trimethylphenoxy)cyclohexyl]methanamine
PubChem CID43294100
Molecular FormulaC18H29NO
Molecular Weight275.44 g/mol
Exact Mass275.22
IUPAC Name[4-ethyl-2-(2,3,5-trimethylphenoxy)cyclohexyl]methanamine
SMILESCCC1CCC(CN)C(Oc2cc(C)cc(C)c2C)C1
InChIInChI=1S/C18H29NO/c1-5-15-6-7-16(11-19)18(10-15)20-17-9-12(2)8-13(3)14(17)4/h8-9,15-16,18H,5-7,10-11,19H2,1-4H3
InChIKeyKPTAJCOKZFHMCW-UHFFFAOYSA-N
XLogP4.14
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [4-ethyl-2-(2,3,5-trimethylphenoxy)cyclohexyl]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 [4-ethyl-2-(2,3,5-trimethylphenoxy)cyclohexyl]methanamine?
The IUPAC name of [4-ethyl-2-(2,3,5-trimethylphenoxy)cyclohexyl]methanamine (CID 43294100) is [4-ethyl-2-(2,3,5-trimethylphenoxy)cyclohexyl]methanamine.
What is the SMILES notation for [4-ethyl-2-(2,3,5-trimethylphenoxy)cyclohexyl]methanamine?
The canonical SMILES for [4-ethyl-2-(2,3,5-trimethylphenoxy)cyclohexyl]methanamine is CCC1CCC(CN)C(Oc2cc(C)cc(C)c2C)C1.
What is the InChIKey of [4-ethyl-2-(2,3,5-trimethylphenoxy)cyclohexyl]methanamine?
The InChIKey is KPTAJCOKZFHMCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO/c1-5-15-6-7-16(11-19)18(10-15)20-17-9-12(2)8-13(3)14(17)4/h8-9,15-16,18H,5-7,10-11,19H2,1-4H3.
What are the key properties of [4-ethyl-2-(2,3,5-trimethylphenoxy)cyclohexyl]methanamine?
[4-ethyl-2-(2,3,5-trimethylphenoxy)cyclohexyl]methanamine has a molecular weight of 275.44 g/mol, XLogP of 4.14, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-ethyl-2-(2,3,5-trimethylphenoxy)cyclohexyl]methanamine is sourced from PubChem (CID 43294100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).