[2-[2-(2,4,6-trichlorophenoxy)ethoxy]phenyl]methanamine

C15H14Cl3NO2 — CID 22683172

IUPAC[2-[2-(2,4,6-trichlorophenoxy)ethoxy]phenyl]methanamine
SMILESNCc1ccccc1OCCOc1c(Cl)cc(Cl)cc1Cl
InChIInChI=1S/C15H14Cl3NO2/c16-11-7-12(17)15(13(18)8-11)21-6-5-20-14-4-2-1-3-10(14)9-19/h1-4,7-8H,5-6,9,19H2
InChIKeyMYMSIAQHKBHMGX-UHFFFAOYSA-N
MW346.64 g/mol
LogP4.56
Rot. Bonds6

About [2-[2-(2,4,6-trichlorophenoxy)ethoxy]phenyl]methanamine

[2-[2-(2,4,6-trichlorophenoxy)ethoxy]phenyl]methanamine (PubChem CID 22683172) has the molecular formula C15H14Cl3NO2 and a molecular weight of 346.64 g/mol. Its IUPAC name is [2-[2-(2,4,6-trichlorophenoxy)ethoxy]phenyl]methanamine.

Molecular Properties

Compound Name[2-[2-(2,4,6-trichlorophenoxy)ethoxy]phenyl]methanamine
PubChem CID22683172
Molecular FormulaC15H14Cl3NO2
Molecular Weight346.64 g/mol
Exact Mass345.01
IUPAC Name[2-[2-(2,4,6-trichlorophenoxy)ethoxy]phenyl]methanamine
SMILESNCc1ccccc1OCCOc1c(Cl)cc(Cl)cc1Cl
InChIInChI=1S/C15H14Cl3NO2/c16-11-7-12(17)15(13(18)8-11)21-6-5-20-14-4-2-1-3-10(14)9-19/h1-4,7-8H,5-6,9,19H2
InChIKeyMYMSIAQHKBHMGX-UHFFFAOYSA-N
XLogP4.56
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.64
LogP ≤ 54.56
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

[5-chloro-2-[2-(2,4,6-trichlorophenoxy)ethoxy]phenyl]methanamine
CID 22684932
[2-[2-(2,3-dichlorophenoxy)ethoxy]phenyl]methanamine
CID 43531293
[2-[2-(2,4-dibromophenoxy)ethoxy]phenyl]methanamine
CID 64718432
[2-[2-(2,3,6-trimethylphenoxy)ethoxy]phenyl]methanamine
CID 20989180
[2-(3,5-dichlorophenoxy)phenyl]methanamine
CID 43622066
3-(2,4,6-trichlorophenoxy)propan-1-amine
CID 10060902
2-[2-(aminomethyl)phenoxy]ethanol;hydrochloride
CID 67183570
[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]methanamine
CID 104559788
[2-[2-(3-bromophenoxy)ethoxy]-3,5-dichlorophenyl]methanamine
CID 63499735
[2-[2-(4-chlorophenyl)sulfinylethoxy]phenyl]methanamine
CID 81328600
[2-[2-(2-tert-butylphenoxy)ethoxy]phenyl]methanamine
CID 20991684
[2-(2-butan-2-yloxyethoxy)phenyl]methanamine
CID 60903164

Frequently Asked Questions

What is the IUPAC name of [2-[2-(2,4,6-trichlorophenoxy)ethoxy]phenyl]methanamine?
The IUPAC name of [2-[2-(2,4,6-trichlorophenoxy)ethoxy]phenyl]methanamine (CID 22683172) is [2-[2-(2,4,6-trichlorophenoxy)ethoxy]phenyl]methanamine.
What is the SMILES notation for [2-[2-(2,4,6-trichlorophenoxy)ethoxy]phenyl]methanamine?
The canonical SMILES for [2-[2-(2,4,6-trichlorophenoxy)ethoxy]phenyl]methanamine is NCc1ccccc1OCCOc1c(Cl)cc(Cl)cc1Cl.
What is the InChIKey of [2-[2-(2,4,6-trichlorophenoxy)ethoxy]phenyl]methanamine?
The InChIKey is MYMSIAQHKBHMGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Cl3NO2/c16-11-7-12(17)15(13(18)8-11)21-6-5-20-14-4-2-1-3-10(14)9-19/h1-4,7-8H,5-6,9,19H2.
What are the key properties of [2-[2-(2,4,6-trichlorophenoxy)ethoxy]phenyl]methanamine?
[2-[2-(2,4,6-trichlorophenoxy)ethoxy]phenyl]methanamine has a molecular weight of 346.64 g/mol, XLogP of 4.56, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(2,4,6-trichlorophenoxy)ethoxy]phenyl]methanamine is sourced from PubChem (CID 22683172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).