N-methoxy-1-[3-(trifluoromethyl)phenyl]ethanamine;hydrochloride

C10H13ClF3NO — CID 122164184

IUPACN-methoxy-1-[3-(trifluoromethyl)phenyl]ethanamine;hydrochloride
SMILESCONC(C)c1cccc(C(F)(F)F)c1.Cl
InChIInChI=1S/C10H12F3NO.ClH/c1-7(14-15-2)8-4-3-5-9(6-8)10(11,12)13;/h3-7,14H,1-2H3;1H
InChIKeyWCMGSTIZLFWGHY-UHFFFAOYSA-N
MW255.67 g/mol
LogP3.34
Rot. Bonds3

About N-methoxy-1-[3-(trifluoromethyl)phenyl]ethanamine;hydrochloride

N-methoxy-1-[3-(trifluoromethyl)phenyl]ethanamine;hydrochloride (PubChem CID 122164184) has the molecular formula C10H13ClF3NO and a molecular weight of 255.67 g/mol. Its IUPAC name is N-methoxy-1-[3-(trifluoromethyl)phenyl]ethanamine;hydrochloride.

Molecular Properties

Compound NameN-methoxy-1-[3-(trifluoromethyl)phenyl]ethanamine;hydrochloride
PubChem CID122164184
Molecular FormulaC10H13ClF3NO
Molecular Weight255.67 g/mol
Exact Mass255.06
IUPAC NameN-methoxy-1-[3-(trifluoromethyl)phenyl]ethanamine;hydrochloride
SMILESCONC(C)c1cccc(C(F)(F)F)c1.Cl
InChIInChI=1S/C10H12F3NO.ClH/c1-7(14-15-2)8-4-3-5-9(6-8)10(11,12)13;/h3-7,14H,1-2H3;1H
InChIKeyWCMGSTIZLFWGHY-UHFFFAOYSA-N
XLogP3.34
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.67
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-methoxy-1-[3-(trifluoromethyl)phenyl]ethanamine;hydrochloride?
The IUPAC name of N-methoxy-1-[3-(trifluoromethyl)phenyl]ethanamine;hydrochloride (CID 122164184) is N-methoxy-1-[3-(trifluoromethyl)phenyl]ethanamine;hydrochloride.
What is the SMILES notation for N-methoxy-1-[3-(trifluoromethyl)phenyl]ethanamine;hydrochloride?
The canonical SMILES for N-methoxy-1-[3-(trifluoromethyl)phenyl]ethanamine;hydrochloride is CONC(C)c1cccc(C(F)(F)F)c1.Cl.
What is the InChIKey of N-methoxy-1-[3-(trifluoromethyl)phenyl]ethanamine;hydrochloride?
The InChIKey is WCMGSTIZLFWGHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3NO.ClH/c1-7(14-15-2)8-4-3-5-9(6-8)10(11,12)13;/h3-7,14H,1-2H3;1H.
What are the key properties of N-methoxy-1-[3-(trifluoromethyl)phenyl]ethanamine;hydrochloride?
N-methoxy-1-[3-(trifluoromethyl)phenyl]ethanamine;hydrochloride has a molecular weight of 255.67 g/mol, XLogP of 3.34, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methoxy-1-[3-(trifluoromethyl)phenyl]ethanamine;hydrochloride is sourced from PubChem (CID 122164184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).