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

C10H13ClF3NO2 — CID 155973060

IUPAC2-amino-1-[2-methoxy-4-(trifluoromethyl)phenyl]ethanol;hydrochloride
SMILESCOc1cc(C(F)(F)F)ccc1C(O)CN.Cl
InChIInChI=1S/C10H12F3NO2.ClH/c1-16-9-4-6(10(11,12)13)2-3-7(9)8(15)5-14;/h2-4,8,15H,5,14H2,1H3;1H
InChIKeyXLDUJDBSHFUJMM-UHFFFAOYSA-N
MW271.67 g/mol
LogP2.13
Rot. Bonds3

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

2-amino-1-[2-methoxy-4-(trifluoromethyl)phenyl]ethanol;hydrochloride (PubChem CID 155973060) has the molecular formula C10H13ClF3NO2 and a molecular weight of 271.67 g/mol. Its IUPAC name is 2-amino-1-[2-methoxy-4-(trifluoromethyl)phenyl]ethanol;hydrochloride.

Molecular Properties

Compound Name2-amino-1-[2-methoxy-4-(trifluoromethyl)phenyl]ethanol;hydrochloride
PubChem CID155973060
Molecular FormulaC10H13ClF3NO2
Molecular Weight271.67 g/mol
Exact Mass271.06
IUPAC Name2-amino-1-[2-methoxy-4-(trifluoromethyl)phenyl]ethanol;hydrochloride
SMILESCOc1cc(C(F)(F)F)ccc1C(O)CN.Cl
InChIInChI=1S/C10H12F3NO2.ClH/c1-16-9-4-6(10(11,12)13)2-3-7(9)8(15)5-14;/h2-4,8,15H,5,14H2,1H3;1H
InChIKeyXLDUJDBSHFUJMM-UHFFFAOYSA-N
XLogP2.13
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.67
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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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]ethanamine;hydrochloride
CID 167530944
(1R,2S)-1-amino-1-[2-methoxy-4-(trifluoromethyl)phenyl]-3-methylpentan-2-ol;hydrochloride
CID 171266308
1-[2-methoxy-4-(trifluoromethyl)phenyl]propan-1-amine;hydrochloride
CID 167530945
(3S)-3-amino-3-[2-methoxy-4-(trifluoromethyl)phenyl]-2,2-dimethylpropan-1-ol;hydrochloride
CID 171245204
1-[2-methoxy-4-(trifluoromethyl)phenyl]-3-sulfanylpropane-1,2-diol
CID 170820747
2-[2-[2-methoxy-4-(trifluoromethyl)phenyl]butyl]propane-1,3-diamine
CID 83921384
(3R)-3-amino-3-[2-methoxy-4-(trifluoromethyl)phenyl]-2,2-dimethylpropan-1-ol
CID 171251936
(1R)-1-[2-methoxy-4-(trifluoromethyl)phenyl]butan-1-amine
CID 96710105
3,4-dihydroxy-4-[2-methoxy-4-(trifluoromethyl)phenyl]butanenitrile
CID 171901836
2-amino-1-[2-methoxy-4-(trifluoromethyl)phenyl]-4-(methylamino)butan-1-ol
CID 83921398
2-amino-1-(2-methoxyphenyl)ethanol;hydrochloride
CID 54593518

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[2-methoxy-4-(trifluoromethyl)phenyl]ethanol;hydrochloride?
The IUPAC name of 2-amino-1-[2-methoxy-4-(trifluoromethyl)phenyl]ethanol;hydrochloride (CID 155973060) is 2-amino-1-[2-methoxy-4-(trifluoromethyl)phenyl]ethanol;hydrochloride.
What is the SMILES notation for 2-amino-1-[2-methoxy-4-(trifluoromethyl)phenyl]ethanol;hydrochloride?
The canonical SMILES for 2-amino-1-[2-methoxy-4-(trifluoromethyl)phenyl]ethanol;hydrochloride is COc1cc(C(F)(F)F)ccc1C(O)CN.Cl.
What is the InChIKey of 2-amino-1-[2-methoxy-4-(trifluoromethyl)phenyl]ethanol;hydrochloride?
The InChIKey is XLDUJDBSHFUJMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3NO2.ClH/c1-16-9-4-6(10(11,12)13)2-3-7(9)8(15)5-14;/h2-4,8,15H,5,14H2,1H3;1H.
What are the key properties of 2-amino-1-[2-methoxy-4-(trifluoromethyl)phenyl]ethanol;hydrochloride?
2-amino-1-[2-methoxy-4-(trifluoromethyl)phenyl]ethanol;hydrochloride has a molecular weight of 271.67 g/mol, XLogP of 2.13, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[2-methoxy-4-(trifluoromethyl)phenyl]ethanol;hydrochloride is sourced from PubChem (CID 155973060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).