1-methoxy-N-[2-(2,4,6-trichlorophenoxy)ethyl]propan-2-amine

C12H16Cl3NO2 — CID 55088685

IUPAC1-methoxy-N-[2-(2,4,6-trichlorophenoxy)ethyl]propan-2-amine
SMILESCOCC(C)NCCOc1c(Cl)cc(Cl)cc1Cl
InChIInChI=1S/C12H16Cl3NO2/c1-8(7-17-2)16-3-4-18-12-10(14)5-9(13)6-11(12)15/h5-6,8,16H,3-4,7H2,1-2H3
InChIKeyJCNCWERCVQBPDB-UHFFFAOYSA-N
MW312.62 g/mol
LogP3.65
Rot. Bonds7

About 1-methoxy-N-[2-(2,4,6-trichlorophenoxy)ethyl]propan-2-amine

1-methoxy-N-[2-(2,4,6-trichlorophenoxy)ethyl]propan-2-amine (PubChem CID 55088685) has the molecular formula C12H16Cl3NO2 and a molecular weight of 312.62 g/mol. Its IUPAC name is 1-methoxy-N-[2-(2,4,6-trichlorophenoxy)ethyl]propan-2-amine.

Molecular Properties

Compound Name1-methoxy-N-[2-(2,4,6-trichlorophenoxy)ethyl]propan-2-amine
PubChem CID55088685
Molecular FormulaC12H16Cl3NO2
Molecular Weight312.62 g/mol
Exact Mass311.02
IUPAC Name1-methoxy-N-[2-(2,4,6-trichlorophenoxy)ethyl]propan-2-amine
SMILESCOCC(C)NCCOc1c(Cl)cc(Cl)cc1Cl
InChIInChI=1S/C12H16Cl3NO2/c1-8(7-17-2)16-3-4-18-12-10(14)5-9(13)6-11(12)15/h5-6,8,16H,3-4,7H2,1-2H3
InChIKeyJCNCWERCVQBPDB-UHFFFAOYSA-N
XLogP3.65
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.62
LogP ≤ 53.65
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

1-methoxy-N-[2-(2,3,4,5,6-pentachlorophenoxy)ethyl]propan-2-amine
CID 63515565
N-[2-(2,4,6-trichlorophenoxy)ethyl]pentan-3-amine
CID 63505056
N-[2-[2-(2,4,6-trichlorophenoxy)ethoxy]ethyl]propan-2-amine
CID 2280812
N-propan-2-yl-4-(2,4,6-trichlorophenoxy)butan-1-amine
CID 62572065
N-[2-[(5-chloro-3-pyridinyl)oxy]ethyl]-1-methoxypropan-2-amine
CID 64601439
1-methoxy-N-propyl-3-(2,4,6-trichlorophenoxy)propan-2-amine
CID 107506738
2-amino-3-methoxy-N-[2-(2,4,6-trichlorophenoxy)ethyl]propanamide
CID 120991939
1-(1-methoxypropan-2-yl)-2-[2-(2,4,6-trichlorophenoxy)ethyl]guanidine;hydroiodide
CID 111859626
N-[2-[(5-chloro-2-pyridinyl)oxy]ethyl]-1-methoxypropan-2-amine
CID 115697129
1,3,5-trichloro-2-(3-methylbutoxy)benzene
CID 91691972
1-methoxy-N-(2-methoxyethyl)propan-2-amine
CID 43199128
N-[2-(2,4,6-trichlorophenoxy)ethyl]prop-2-en-1-amine
CID 21286525

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-N-[2-(2,4,6-trichlorophenoxy)ethyl]propan-2-amine?
The IUPAC name of 1-methoxy-N-[2-(2,4,6-trichlorophenoxy)ethyl]propan-2-amine (CID 55088685) is 1-methoxy-N-[2-(2,4,6-trichlorophenoxy)ethyl]propan-2-amine.
What is the SMILES notation for 1-methoxy-N-[2-(2,4,6-trichlorophenoxy)ethyl]propan-2-amine?
The canonical SMILES for 1-methoxy-N-[2-(2,4,6-trichlorophenoxy)ethyl]propan-2-amine is COCC(C)NCCOc1c(Cl)cc(Cl)cc1Cl.
What is the InChIKey of 1-methoxy-N-[2-(2,4,6-trichlorophenoxy)ethyl]propan-2-amine?
The InChIKey is JCNCWERCVQBPDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16Cl3NO2/c1-8(7-17-2)16-3-4-18-12-10(14)5-9(13)6-11(12)15/h5-6,8,16H,3-4,7H2,1-2H3.
What are the key properties of 1-methoxy-N-[2-(2,4,6-trichlorophenoxy)ethyl]propan-2-amine?
1-methoxy-N-[2-(2,4,6-trichlorophenoxy)ethyl]propan-2-amine has a molecular weight of 312.62 g/mol, XLogP of 3.65, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-N-[2-(2,4,6-trichlorophenoxy)ethyl]propan-2-amine is sourced from PubChem (CID 55088685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).