2-chloro-3-methoxy-N-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]propan-1-amine

C9H17ClF3NO2 — CID 63388168

IUPAC2-chloro-3-methoxy-N-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]propan-1-amine
SMILESCOCC(Cl)CN(C)CCOCC(F)(F)F
InChIInChI=1S/C9H17ClF3NO2/c1-14(5-8(10)6-15-2)3-4-16-7-9(11,12)13/h8H,3-7H2,1-2H3
InChIKeyLKSZMQUNRKSEFR-UHFFFAOYSA-N
MW263.69 g/mol
LogP1.75
Rot. Bonds8

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

2-chloro-3-methoxy-N-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]propan-1-amine (PubChem CID 63388168) has the molecular formula C9H17ClF3NO2 and a molecular weight of 263.69 g/mol. Its IUPAC name is 2-chloro-3-methoxy-N-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]propan-1-amine.

Molecular Properties

Compound Name2-chloro-3-methoxy-N-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]propan-1-amine
PubChem CID63388168
Molecular FormulaC9H17ClF3NO2
Molecular Weight263.69 g/mol
Exact Mass263.09
IUPAC Name2-chloro-3-methoxy-N-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]propan-1-amine
SMILESCOCC(Cl)CN(C)CCOCC(F)(F)F
InChIInChI=1S/C9H17ClF3NO2/c1-14(5-8(10)6-15-2)3-4-16-7-9(11,12)13/h8H,3-7H2,1-2H3
InChIKeyLKSZMQUNRKSEFR-UHFFFAOYSA-N
XLogP1.75
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.69
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-chloro-3-methoxy-N-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]propan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-methoxy-N-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]propan-1-amine?
The IUPAC name of 2-chloro-3-methoxy-N-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]propan-1-amine (CID 63388168) is 2-chloro-3-methoxy-N-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]propan-1-amine.
What is the SMILES notation for 2-chloro-3-methoxy-N-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]propan-1-amine?
The canonical SMILES for 2-chloro-3-methoxy-N-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]propan-1-amine is COCC(Cl)CN(C)CCOCC(F)(F)F.
What is the InChIKey of 2-chloro-3-methoxy-N-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]propan-1-amine?
The InChIKey is LKSZMQUNRKSEFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17ClF3NO2/c1-14(5-8(10)6-15-2)3-4-16-7-9(11,12)13/h8H,3-7H2,1-2H3.
What are the key properties of 2-chloro-3-methoxy-N-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]propan-1-amine?
2-chloro-3-methoxy-N-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]propan-1-amine has a molecular weight of 263.69 g/mol, XLogP of 1.75, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-methoxy-N-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]propan-1-amine is sourced from PubChem (CID 63388168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).