1-methoxy-N-propyl-3-(2,4,6-trichlorophenoxy)propan-2-amine

C13H18Cl3NO2 — CID 107506738

IUPAC1-methoxy-N-propyl-3-(2,4,6-trichlorophenoxy)propan-2-amine
SMILESCCCNC(COC)COc1c(Cl)cc(Cl)cc1Cl
InChIInChI=1S/C13H18Cl3NO2/c1-3-4-17-10(7-18-2)8-19-13-11(15)5-9(14)6-12(13)16/h5-6,10,17H,3-4,7-8H2,1-2H3
InChIKeyQVUYVCMUVRQXNG-UHFFFAOYSA-N
MW326.65 g/mol
LogP4.04
Rot. Bonds8

About 1-methoxy-N-propyl-3-(2,4,6-trichlorophenoxy)propan-2-amine

1-methoxy-N-propyl-3-(2,4,6-trichlorophenoxy)propan-2-amine (PubChem CID 107506738) has the molecular formula C13H18Cl3NO2 and a molecular weight of 326.65 g/mol. Its IUPAC name is 1-methoxy-N-propyl-3-(2,4,6-trichlorophenoxy)propan-2-amine.

Molecular Properties

Compound Name1-methoxy-N-propyl-3-(2,4,6-trichlorophenoxy)propan-2-amine
PubChem CID107506738
Molecular FormulaC13H18Cl3NO2
Molecular Weight326.65 g/mol
Exact Mass325.04
IUPAC Name1-methoxy-N-propyl-3-(2,4,6-trichlorophenoxy)propan-2-amine
SMILESCCCNC(COC)COc1c(Cl)cc(Cl)cc1Cl
InChIInChI=1S/C13H18Cl3NO2/c1-3-4-17-10(7-18-2)8-19-13-11(15)5-9(14)6-12(13)16/h5-6,10,17H,3-4,7-8H2,1-2H3
InChIKeyQVUYVCMUVRQXNG-UHFFFAOYSA-N
XLogP4.04
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.65
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-chlorophenoxy)-3-methoxy-N-propylpropan-2-amine
CID 105165730
N-ethyl-1-(2,4,6-trichlorophenoxy)pentan-2-amine
CID 63499435
N-[2-(2,4,6-trichlorophenoxy)ethyl]pentan-3-amine
CID 63505056
N-methyl-1-(2,4,6-trichlorophenoxy)pentan-2-amine
CID 62043427
1-methoxy-N-[2-(2,4,6-trichlorophenoxy)ethyl]propan-2-amine
CID 55088685
N-[1-(3,5-dichloro-2-pyridinyl)-2-methoxyethyl]propan-1-amine
CID 79780092
1-methoxy-3-[4-(2-methoxyethyl)phenoxy]-N-propylpropan-2-amine
CID 107506757
N-propan-2-yl-4-(2,4,6-trichlorophenoxy)butan-1-amine
CID 62572065
1-methoxy-3-(2-propan-2-ylphenoxy)-N-propylpropan-2-amine
CID 107506613
1,3,5-trichloro-2-tetradecoxybenzene
CID 6429977
1,3,5-trichloro-2-octadecoxybenzene
CID 20520413
2-amino-3-methoxy-N-[2-(2,4,6-trichlorophenoxy)ethyl]propanamide
CID 120991939

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-N-propyl-3-(2,4,6-trichlorophenoxy)propan-2-amine?
The IUPAC name of 1-methoxy-N-propyl-3-(2,4,6-trichlorophenoxy)propan-2-amine (CID 107506738) is 1-methoxy-N-propyl-3-(2,4,6-trichlorophenoxy)propan-2-amine.
What is the SMILES notation for 1-methoxy-N-propyl-3-(2,4,6-trichlorophenoxy)propan-2-amine?
The canonical SMILES for 1-methoxy-N-propyl-3-(2,4,6-trichlorophenoxy)propan-2-amine is CCCNC(COC)COc1c(Cl)cc(Cl)cc1Cl.
What is the InChIKey of 1-methoxy-N-propyl-3-(2,4,6-trichlorophenoxy)propan-2-amine?
The InChIKey is QVUYVCMUVRQXNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18Cl3NO2/c1-3-4-17-10(7-18-2)8-19-13-11(15)5-9(14)6-12(13)16/h5-6,10,17H,3-4,7-8H2,1-2H3.
What are the key properties of 1-methoxy-N-propyl-3-(2,4,6-trichlorophenoxy)propan-2-amine?
1-methoxy-N-propyl-3-(2,4,6-trichlorophenoxy)propan-2-amine has a molecular weight of 326.65 g/mol, XLogP of 4.04, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-N-propyl-3-(2,4,6-trichlorophenoxy)propan-2-amine is sourced from PubChem (CID 107506738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).