1-[2-methoxy-4-(trifluoromethyl)phenyl]ethanamine;hydrochloride

C10H13ClF3NO — CID 167530944

IUPAC1-[2-methoxy-4-(trifluoromethyl)phenyl]ethanamine;hydrochloride
SMILESCOc1cc(C(F)(F)F)ccc1C(C)N.Cl
InChIInChI=1S/C10H12F3NO.ClH/c1-6(14)8-4-3-7(10(11,12)13)5-9(8)15-2;/h3-6H,14H2,1-2H3;1H
InChIKeyMUWSNEOOXDAGBQ-UHFFFAOYSA-N
MW255.67 g/mol
LogP3.16
Rot. Bonds2

About 1-[2-methoxy-4-(trifluoromethyl)phenyl]ethanamine;hydrochloride

1-[2-methoxy-4-(trifluoromethyl)phenyl]ethanamine;hydrochloride (PubChem CID 167530944) has the molecular formula C10H13ClF3NO and a molecular weight of 255.67 g/mol. Its IUPAC name is 1-[2-methoxy-4-(trifluoromethyl)phenyl]ethanamine;hydrochloride.

Molecular Properties

Compound Name1-[2-methoxy-4-(trifluoromethyl)phenyl]ethanamine;hydrochloride
PubChem CID167530944
Molecular FormulaC10H13ClF3NO
Molecular Weight255.67 g/mol
Exact Mass255.06
IUPAC Name1-[2-methoxy-4-(trifluoromethyl)phenyl]ethanamine;hydrochloride
SMILESCOc1cc(C(F)(F)F)ccc1C(C)N.Cl
InChIInChI=1S/C10H12F3NO.ClH/c1-6(14)8-4-3-7(10(11,12)13)5-9(8)15-2;/h3-6H,14H2,1-2H3;1H
InChIKeyMUWSNEOOXDAGBQ-UHFFFAOYSA-N
XLogP3.16
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.67
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S,2R)-1-amino-1-[2-methoxy-4-(trifluoromethyl)phenyl]propan-2-ol;hydrochloride
CID 171271952
1-[2-methoxy-4-(trifluoromethyl)phenyl]propan-1-amine;hydrochloride
CID 167530945
(1R,2S)-1-amino-1-[2-methoxy-4-(trifluoromethyl)phenyl]-3-methylpentan-2-ol;hydrochloride
CID 171266308
2-amino-1-[2-methoxy-4-(trifluoromethyl)phenyl]ethanol;hydrochloride
CID 155973060
(1R)-1-[2-methoxy-4-(trifluoromethyl)phenyl]butan-1-amine
CID 96710105
(3S)-3-amino-3-[2-methoxy-4-(trifluoromethyl)phenyl]-2,2-dimethylpropan-1-ol;hydrochloride
CID 171245204
2-[(1R)-1-aminoethyl]-5-(trifluoromethyl)aniline
CID 96763613
(1R)-1-[2-methyl-4-(trifluoromethyl)phenyl]ethanamine
CID 129373327
(3R)-3-amino-3-[2-methoxy-4-(trifluoromethyl)phenyl]propanenitrile
CID 171260709
(3R)-3-amino-3-[2-methoxy-4-(trifluoromethyl)phenyl]-2,2-dimethylpropan-1-ol
CID 171251936
(1S)-1-[2-fluoro-4-(trifluoromethyl)phenyl]ethanamine
CID 71074659
1-(2-methoxy-4-methylphenyl)ethanamine;hydrochloride
CID 127021057

Frequently Asked Questions

What is the IUPAC name of 1-[2-methoxy-4-(trifluoromethyl)phenyl]ethanamine;hydrochloride?
The IUPAC name of 1-[2-methoxy-4-(trifluoromethyl)phenyl]ethanamine;hydrochloride (CID 167530944) is 1-[2-methoxy-4-(trifluoromethyl)phenyl]ethanamine;hydrochloride.
What is the SMILES notation for 1-[2-methoxy-4-(trifluoromethyl)phenyl]ethanamine;hydrochloride?
The canonical SMILES for 1-[2-methoxy-4-(trifluoromethyl)phenyl]ethanamine;hydrochloride is COc1cc(C(F)(F)F)ccc1C(C)N.Cl.
What is the InChIKey of 1-[2-methoxy-4-(trifluoromethyl)phenyl]ethanamine;hydrochloride?
The InChIKey is MUWSNEOOXDAGBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3NO.ClH/c1-6(14)8-4-3-7(10(11,12)13)5-9(8)15-2;/h3-6H,14H2,1-2H3;1H.
What are the key properties of 1-[2-methoxy-4-(trifluoromethyl)phenyl]ethanamine;hydrochloride?
1-[2-methoxy-4-(trifluoromethyl)phenyl]ethanamine;hydrochloride has a molecular weight of 255.67 g/mol, XLogP of 3.16, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-methoxy-4-(trifluoromethyl)phenyl]ethanamine;hydrochloride is sourced from PubChem (CID 167530944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).