[2-[2-(2,3-dichlorophenoxy)ethoxy]phenyl]methanamine

C15H15Cl2NO2 — CID 43531293

IUPAC[2-[2-(2,3-dichlorophenoxy)ethoxy]phenyl]methanamine
SMILESNCc1ccccc1OCCOc1cccc(Cl)c1Cl
InChIInChI=1S/C15H15Cl2NO2/c16-12-5-3-7-14(15(12)17)20-9-8-19-13-6-2-1-4-11(13)10-18/h1-7H,8-10,18H2
InChIKeyJWJGDVGZOPUOMT-UHFFFAOYSA-N
MW312.20 g/mol
LogP3.91
Rot. Bonds6

About [2-[2-(2,3-dichlorophenoxy)ethoxy]phenyl]methanamine

[2-[2-(2,3-dichlorophenoxy)ethoxy]phenyl]methanamine (PubChem CID 43531293) has the molecular formula C15H15Cl2NO2 and a molecular weight of 312.20 g/mol. Its IUPAC name is [2-[2-(2,3-dichlorophenoxy)ethoxy]phenyl]methanamine.

Molecular Properties

Compound Name[2-[2-(2,3-dichlorophenoxy)ethoxy]phenyl]methanamine
PubChem CID43531293
Molecular FormulaC15H15Cl2NO2
Molecular Weight312.20 g/mol
Exact Mass311.05
IUPAC Name[2-[2-(2,3-dichlorophenoxy)ethoxy]phenyl]methanamine
SMILESNCc1ccccc1OCCOc1cccc(Cl)c1Cl
InChIInChI=1S/C15H15Cl2NO2/c16-12-5-3-7-14(15(12)17)20-9-8-19-13-6-2-1-4-11(13)10-18/h1-7H,8-10,18H2
InChIKeyJWJGDVGZOPUOMT-UHFFFAOYSA-N
XLogP3.91
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.20
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[2-[2-(2,4,6-trichlorophenoxy)ethoxy]phenyl]methanamine
CID 22683172
2-[3-(2,3-dichlorophenoxy)propoxy]aniline
CID 43174436
3-(2,3-dichlorophenoxy)propane-1-thiol
CID 79019605
2-[2-(aminomethyl)phenoxy]ethanol;hydrochloride
CID 67183570
[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]methanamine
CID 104559788
[2-[2-(2,4-dibromophenoxy)ethoxy]phenyl]methanamine
CID 64718432
[2-(fluoromethoxy)phenyl]methanamine;hydrochloride
CID 158704941
2-[(2,3-dichlorophenoxy)methyl]prop-2-en-1-amine
CID 103066836
[2-(2-butan-2-yloxyethoxy)phenyl]methanamine
CID 60903164
[2-[2-(2-tert-butylphenoxy)ethoxy]phenyl]methanamine
CID 20991684
[2-chloro-6-(2-methoxyethoxy)phenyl]methanamine
CID 28965931
[5-[(2,3-dichlorophenoxy)methyl]-2-fluorophenyl]methanamine
CID 107878986

Frequently Asked Questions

What is the IUPAC name of [2-[2-(2,3-dichlorophenoxy)ethoxy]phenyl]methanamine?
The IUPAC name of [2-[2-(2,3-dichlorophenoxy)ethoxy]phenyl]methanamine (CID 43531293) is [2-[2-(2,3-dichlorophenoxy)ethoxy]phenyl]methanamine.
What is the SMILES notation for [2-[2-(2,3-dichlorophenoxy)ethoxy]phenyl]methanamine?
The canonical SMILES for [2-[2-(2,3-dichlorophenoxy)ethoxy]phenyl]methanamine is NCc1ccccc1OCCOc1cccc(Cl)c1Cl.
What is the InChIKey of [2-[2-(2,3-dichlorophenoxy)ethoxy]phenyl]methanamine?
The InChIKey is JWJGDVGZOPUOMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Cl2NO2/c16-12-5-3-7-14(15(12)17)20-9-8-19-13-6-2-1-4-11(13)10-18/h1-7H,8-10,18H2.
What are the key properties of [2-[2-(2,3-dichlorophenoxy)ethoxy]phenyl]methanamine?
[2-[2-(2,3-dichlorophenoxy)ethoxy]phenyl]methanamine has a molecular weight of 312.20 g/mol, XLogP of 3.91, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(2,3-dichlorophenoxy)ethoxy]phenyl]methanamine is sourced from PubChem (CID 43531293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).