[2-(4-chloro-3-ethylphenoxy)-4-ethylcyclohexyl]methanamine

C17H26ClNO — CID 43531328

IUPAC[2-(4-chloro-3-ethylphenoxy)-4-ethylcyclohexyl]methanamine
SMILESCCc1cc(OC2CC(CC)CCC2CN)ccc1Cl
InChIInChI=1S/C17H26ClNO/c1-3-12-5-6-14(11-19)17(9-12)20-15-7-8-16(18)13(4-2)10-15/h7-8,10,12,14,17H,3-6,9,11,19H2,1-2H3
InChIKeyIRZJEJHUEIXWQI-UHFFFAOYSA-N
MW295.85 g/mol
LogP4.43
Rot. Bonds5

About [2-(4-chloro-3-ethylphenoxy)-4-ethylcyclohexyl]methanamine

[2-(4-chloro-3-ethylphenoxy)-4-ethylcyclohexyl]methanamine (PubChem CID 43531328) has the molecular formula C17H26ClNO and a molecular weight of 295.85 g/mol. Its IUPAC name is [2-(4-chloro-3-ethylphenoxy)-4-ethylcyclohexyl]methanamine.

Molecular Properties

Compound Name[2-(4-chloro-3-ethylphenoxy)-4-ethylcyclohexyl]methanamine
PubChem CID43531328
Molecular FormulaC17H26ClNO
Molecular Weight295.85 g/mol
Exact Mass295.17
IUPAC Name[2-(4-chloro-3-ethylphenoxy)-4-ethylcyclohexyl]methanamine
SMILESCCc1cc(OC2CC(CC)CCC2CN)ccc1Cl
InChIInChI=1S/C17H26ClNO/c1-3-12-5-6-14(11-19)17(9-12)20-15-7-8-16(18)13(4-2)10-15/h7-8,10,12,14,17H,3-6,9,11,19H2,1-2H3
InChIKeyIRZJEJHUEIXWQI-UHFFFAOYSA-N
XLogP4.43
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.85
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [2-(4-chloro-3-ethylphenoxy)-4-ethylcyclohexyl]methanamine?
The IUPAC name of [2-(4-chloro-3-ethylphenoxy)-4-ethylcyclohexyl]methanamine (CID 43531328) is [2-(4-chloro-3-ethylphenoxy)-4-ethylcyclohexyl]methanamine.
What is the SMILES notation for [2-(4-chloro-3-ethylphenoxy)-4-ethylcyclohexyl]methanamine?
The canonical SMILES for [2-(4-chloro-3-ethylphenoxy)-4-ethylcyclohexyl]methanamine is CCc1cc(OC2CC(CC)CCC2CN)ccc1Cl.
What is the InChIKey of [2-(4-chloro-3-ethylphenoxy)-4-ethylcyclohexyl]methanamine?
The InChIKey is IRZJEJHUEIXWQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26ClNO/c1-3-12-5-6-14(11-19)17(9-12)20-15-7-8-16(18)13(4-2)10-15/h7-8,10,12,14,17H,3-6,9,11,19H2,1-2H3.
What are the key properties of [2-(4-chloro-3-ethylphenoxy)-4-ethylcyclohexyl]methanamine?
[2-(4-chloro-3-ethylphenoxy)-4-ethylcyclohexyl]methanamine has a molecular weight of 295.85 g/mol, XLogP of 4.43, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-chloro-3-ethylphenoxy)-4-ethylcyclohexyl]methanamine is sourced from PubChem (CID 43531328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).