N-methyl-1-[4-(trifluoromethyl)phenyl]ethanamine;hydrochloride

C10H13ClF3N — CID 155822252

IUPACN-methyl-1-[4-(trifluoromethyl)phenyl]ethanamine;hydrochloride
SMILESCNC(C)c1ccc(C(F)(F)F)cc1.Cl
InChIInChI=1S/C10H12F3N.ClH/c1-7(14-2)8-3-5-9(6-4-8)10(11,12)13;/h3-7,14H,1-2H3;1H
InChIKeySXTCEWHYWLRIJC-UHFFFAOYSA-N
MW239.67 g/mol
LogP3.41
Rot. Bonds2

About N-methyl-1-[4-(trifluoromethyl)phenyl]ethanamine;hydrochloride

N-methyl-1-[4-(trifluoromethyl)phenyl]ethanamine;hydrochloride (PubChem CID 155822252) has the molecular formula C10H13ClF3N and a molecular weight of 239.67 g/mol. Its IUPAC name is N-methyl-1-[4-(trifluoromethyl)phenyl]ethanamine;hydrochloride.

Molecular Properties

Compound NameN-methyl-1-[4-(trifluoromethyl)phenyl]ethanamine;hydrochloride
PubChem CID155822252
Molecular FormulaC10H13ClF3N
Molecular Weight239.67 g/mol
Exact Mass239.07
IUPAC NameN-methyl-1-[4-(trifluoromethyl)phenyl]ethanamine;hydrochloride
SMILESCNC(C)c1ccc(C(F)(F)F)cc1.Cl
InChIInChI=1S/C10H12F3N.ClH/c1-7(14-2)8-3-5-9(6-4-8)10(11,12)13;/h3-7,14H,1-2H3;1H
InChIKeySXTCEWHYWLRIJC-UHFFFAOYSA-N
XLogP3.41
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.67
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[4-(trifluoromethyl)phenyl]ethanamine;hydrochloride?
The IUPAC name of N-methyl-1-[4-(trifluoromethyl)phenyl]ethanamine;hydrochloride (CID 155822252) is N-methyl-1-[4-(trifluoromethyl)phenyl]ethanamine;hydrochloride.
What is the SMILES notation for N-methyl-1-[4-(trifluoromethyl)phenyl]ethanamine;hydrochloride?
The canonical SMILES for N-methyl-1-[4-(trifluoromethyl)phenyl]ethanamine;hydrochloride is CNC(C)c1ccc(C(F)(F)F)cc1.Cl.
What is the InChIKey of N-methyl-1-[4-(trifluoromethyl)phenyl]ethanamine;hydrochloride?
The InChIKey is SXTCEWHYWLRIJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3N.ClH/c1-7(14-2)8-3-5-9(6-4-8)10(11,12)13;/h3-7,14H,1-2H3;1H.
What are the key properties of N-methyl-1-[4-(trifluoromethyl)phenyl]ethanamine;hydrochloride?
N-methyl-1-[4-(trifluoromethyl)phenyl]ethanamine;hydrochloride has a molecular weight of 239.67 g/mol, XLogP of 3.41, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[4-(trifluoromethyl)phenyl]ethanamine;hydrochloride is sourced from PubChem (CID 155822252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).