2-[5-chloro-2-(ethoxymethoxy)phenyl]ethanamine

C11H16ClNO2 — CID 65369658

IUPAC2-[5-chloro-2-(ethoxymethoxy)phenyl]ethanamine
SMILESCCOCOc1ccc(Cl)cc1CCN
InChIInChI=1S/C11H16ClNO2/c1-2-14-8-15-11-4-3-10(12)7-9(11)5-6-13/h3-4,7H,2,5-6,8,13H2,1H3
InChIKeyPXHLAJBZUIKBGE-UHFFFAOYSA-N
MW229.71 g/mol
LogP2.21
Rot. Bonds6

About 2-[5-chloro-2-(ethoxymethoxy)phenyl]ethanamine

2-[5-chloro-2-(ethoxymethoxy)phenyl]ethanamine (PubChem CID 65369658) has the molecular formula C11H16ClNO2 and a molecular weight of 229.71 g/mol. Its IUPAC name is 2-[5-chloro-2-(ethoxymethoxy)phenyl]ethanamine.

Molecular Properties

Compound Name2-[5-chloro-2-(ethoxymethoxy)phenyl]ethanamine
PubChem CID65369658
Molecular FormulaC11H16ClNO2
Molecular Weight229.71 g/mol
Exact Mass229.09
IUPAC Name2-[5-chloro-2-(ethoxymethoxy)phenyl]ethanamine
SMILESCCOCOc1ccc(Cl)cc1CCN
InChIInChI=1S/C11H16ClNO2/c1-2-14-8-15-11-4-3-10(12)7-9(11)5-6-13/h3-4,7H,2,5-6,8,13H2,1H3
InChIKeyPXHLAJBZUIKBGE-UHFFFAOYSA-N
XLogP2.21
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.71
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-[5-chloro-2-(2-ethoxyethoxy)phenyl]ethanamine
CID 60906110
2-[5-chloro-2-(4-ethoxyphenoxy)phenyl]ethanamine
CID 114862746
2-[5-chloro-2-(2-methylpropoxy)phenyl]ethanamine
CID 60905190
1-[5-chloro-2-(ethoxymethoxy)phenyl]ethanamine
CID 65369844
2-[5-chloro-2-[3-(2-methoxyethoxy)propoxy]phenyl]ethanamine
CID 103411486
2-[2-(5-chloro-2-ethoxyphenyl)ethyl]guanidine;hydroiodide
CID 109467659
2-(5-chloro-2-ethoxyphenyl)-N-methylethanamine
CID 82550128
2-[5-chloro-2-[2-(2-propan-2-ylphenoxy)ethoxy]phenyl]ethanamine
CID 20989901
1-[5-chloro-2-(ethoxymethoxy)phenyl]-N-methylethanamine
CID 65369845
2-[5-chloro-2-(4-propylphenoxy)phenyl]ethanamine
CID 114863148
2-[2-[(5-bromo-2-fluorophenyl)methoxy]-5-chlorophenyl]ethanamine
CID 60904821
2-[5-chloro-2-(4-chloro-3-ethylphenoxy)phenyl]ethanamine
CID 114863101

Frequently Asked Questions

What is the IUPAC name of 2-[5-chloro-2-(ethoxymethoxy)phenyl]ethanamine?
The IUPAC name of 2-[5-chloro-2-(ethoxymethoxy)phenyl]ethanamine (CID 65369658) is 2-[5-chloro-2-(ethoxymethoxy)phenyl]ethanamine.
What is the SMILES notation for 2-[5-chloro-2-(ethoxymethoxy)phenyl]ethanamine?
The canonical SMILES for 2-[5-chloro-2-(ethoxymethoxy)phenyl]ethanamine is CCOCOc1ccc(Cl)cc1CCN.
What is the InChIKey of 2-[5-chloro-2-(ethoxymethoxy)phenyl]ethanamine?
The InChIKey is PXHLAJBZUIKBGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClNO2/c1-2-14-8-15-11-4-3-10(12)7-9(11)5-6-13/h3-4,7H,2,5-6,8,13H2,1H3.
What are the key properties of 2-[5-chloro-2-(ethoxymethoxy)phenyl]ethanamine?
2-[5-chloro-2-(ethoxymethoxy)phenyl]ethanamine has a molecular weight of 229.71 g/mol, XLogP of 2.21, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-chloro-2-(ethoxymethoxy)phenyl]ethanamine is sourced from PubChem (CID 65369658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).