2-methoxy-2-methyl-N-[1-(2,3,4-trichlorophenyl)ethyl]propan-1-amine

C13H18Cl3NO — CID 113450013

IUPAC2-methoxy-2-methyl-N-[1-(2,3,4-trichlorophenyl)ethyl]propan-1-amine
SMILESCOC(C)(C)CNC(C)c1ccc(Cl)c(Cl)c1Cl
InChIInChI=1S/C13H18Cl3NO/c1-8(17-7-13(2,3)18-4)9-5-6-10(14)12(16)11(9)15/h5-6,8,17H,7H2,1-4H3
InChIKeyKDXDSTGPTRGYNL-UHFFFAOYSA-N
MW310.65 g/mol
LogP4.72
Rot. Bonds5

About 2-methoxy-2-methyl-N-[1-(2,3,4-trichlorophenyl)ethyl]propan-1-amine

2-methoxy-2-methyl-N-[1-(2,3,4-trichlorophenyl)ethyl]propan-1-amine (PubChem CID 113450013) has the molecular formula C13H18Cl3NO and a molecular weight of 310.65 g/mol. Its IUPAC name is 2-methoxy-2-methyl-N-[1-(2,3,4-trichlorophenyl)ethyl]propan-1-amine.

Molecular Properties

Compound Name2-methoxy-2-methyl-N-[1-(2,3,4-trichlorophenyl)ethyl]propan-1-amine
PubChem CID113450013
Molecular FormulaC13H18Cl3NO
Molecular Weight310.65 g/mol
Exact Mass309.05
IUPAC Name2-methoxy-2-methyl-N-[1-(2,3,4-trichlorophenyl)ethyl]propan-1-amine
SMILESCOC(C)(C)CNC(C)c1ccc(Cl)c(Cl)c1Cl
InChIInChI=1S/C13H18Cl3NO/c1-8(17-7-13(2,3)18-4)9-5-6-10(14)12(16)11(9)15/h5-6,8,17H,7H2,1-4H3
InChIKeyKDXDSTGPTRGYNL-UHFFFAOYSA-N
XLogP4.72
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.65
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

N-[1-(2,4-difluorophenyl)ethyl]-2-methoxy-2-methylpropan-1-amine
CID 113245730
N-[2-methyl-1-[1-(2,3,4-trichlorophenyl)ethylamino]propan-2-yl]methanesulfonamide
CID 63861056
N-[1-(2-bromophenyl)ethyl]-2-methoxy-2-methylpropan-1-amine
CID 115664067
2-methoxy-2-methyl-N-[1-(2,4,5-trimethylphenyl)ethyl]propan-1-amine
CID 115728760
2,2-diethoxy-N-[1-(2,3,4-trichlorophenyl)ethyl]ethanamine
CID 79548559
N-[1-(2,4-dichlorophenyl)propyl]-2-methoxy-2-methylpropan-1-amine
CID 113450027
4-methyl-N-[1-(2,3,4-trichlorophenyl)ethyl]pentan-1-amine
CID 63452553
N-[1-(4-bromophenyl)ethyl]-2-methoxy-2-methylpropan-1-amine
CID 115664039
N-[(4-ethylphenyl)methyl]-1-(2,3,4-trichlorophenyl)ethanamine
CID 106899409
N'-methyl-N'-propan-2-yl-N-[1-(2,3,4-trichlorophenyl)ethyl]propane-1,3-diamine
CID 106040177
1-(2,3,4-trichlorophenyl)ethylhydrazine
CID 53402187
N-[1-(4-iodophenyl)ethyl]-2-methoxy-2-methylpropan-1-amine
CID 115728734

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-2-methyl-N-[1-(2,3,4-trichlorophenyl)ethyl]propan-1-amine?
The IUPAC name of 2-methoxy-2-methyl-N-[1-(2,3,4-trichlorophenyl)ethyl]propan-1-amine (CID 113450013) is 2-methoxy-2-methyl-N-[1-(2,3,4-trichlorophenyl)ethyl]propan-1-amine.
What is the SMILES notation for 2-methoxy-2-methyl-N-[1-(2,3,4-trichlorophenyl)ethyl]propan-1-amine?
The canonical SMILES for 2-methoxy-2-methyl-N-[1-(2,3,4-trichlorophenyl)ethyl]propan-1-amine is COC(C)(C)CNC(C)c1ccc(Cl)c(Cl)c1Cl.
What is the InChIKey of 2-methoxy-2-methyl-N-[1-(2,3,4-trichlorophenyl)ethyl]propan-1-amine?
The InChIKey is KDXDSTGPTRGYNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18Cl3NO/c1-8(17-7-13(2,3)18-4)9-5-6-10(14)12(16)11(9)15/h5-6,8,17H,7H2,1-4H3.
What are the key properties of 2-methoxy-2-methyl-N-[1-(2,3,4-trichlorophenyl)ethyl]propan-1-amine?
2-methoxy-2-methyl-N-[1-(2,3,4-trichlorophenyl)ethyl]propan-1-amine has a molecular weight of 310.65 g/mol, XLogP of 4.72, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-2-methyl-N-[1-(2,3,4-trichlorophenyl)ethyl]propan-1-amine is sourced from PubChem (CID 113450013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).