2-(4-chloro-3-methylphenoxy)-N-ethylethanamine

C11H16ClNO — CID 6458946

IUPAC2-(4-chloro-3-methylphenoxy)-N-ethylethanamine
SMILESCCNCCOc1ccc(Cl)c(C)c1
InChIInChI=1S/C11H16ClNO/c1-3-13-6-7-14-10-4-5-11(12)9(2)8-10/h4-5,8,13H,3,6-7H2,1-2H3
InChIKeyJETZEQAXQGLWPD-UHFFFAOYSA-N
MW213.71 g/mol
LogP2.64
Rot. Bonds5

About 2-(4-chloro-3-methylphenoxy)-N-ethylethanamine

2-(4-chloro-3-methylphenoxy)-N-ethylethanamine (PubChem CID 6458946) has the molecular formula C11H16ClNO and a molecular weight of 213.71 g/mol. Its IUPAC name is 2-(4-chloro-3-methylphenoxy)-N-ethylethanamine.

Molecular Properties

Compound Name2-(4-chloro-3-methylphenoxy)-N-ethylethanamine
PubChem CID6458946
Molecular FormulaC11H16ClNO
Molecular Weight213.71 g/mol
Exact Mass213.09
IUPAC Name2-(4-chloro-3-methylphenoxy)-N-ethylethanamine
SMILESCCNCCOc1ccc(Cl)c(C)c1
InChIInChI=1S/C11H16ClNO/c1-3-13-6-7-14-10-4-5-11(12)9(2)8-10/h4-5,8,13H,3,6-7H2,1-2H3
InChIKeyJETZEQAXQGLWPD-UHFFFAOYSA-N
XLogP2.64
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.71
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3-methylphenoxy)-N-ethylethanamine?
The IUPAC name of 2-(4-chloro-3-methylphenoxy)-N-ethylethanamine (CID 6458946) is 2-(4-chloro-3-methylphenoxy)-N-ethylethanamine.
What is the SMILES notation for 2-(4-chloro-3-methylphenoxy)-N-ethylethanamine?
The canonical SMILES for 2-(4-chloro-3-methylphenoxy)-N-ethylethanamine is CCNCCOc1ccc(Cl)c(C)c1.
What is the InChIKey of 2-(4-chloro-3-methylphenoxy)-N-ethylethanamine?
The InChIKey is JETZEQAXQGLWPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClNO/c1-3-13-6-7-14-10-4-5-11(12)9(2)8-10/h4-5,8,13H,3,6-7H2,1-2H3.
What are the key properties of 2-(4-chloro-3-methylphenoxy)-N-ethylethanamine?
2-(4-chloro-3-methylphenoxy)-N-ethylethanamine has a molecular weight of 213.71 g/mol, XLogP of 2.64, 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-methylphenoxy)-N-ethylethanamine is sourced from PubChem (CID 6458946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).