2-amino-3-[4-methoxy-2-(trifluoromethoxy)phenyl]propan-1-ol;hydrochloride

C11H15ClF3NO3 — CID 170893691

IUPAC2-amino-3-[4-methoxy-2-(trifluoromethoxy)phenyl]propan-1-ol;hydrochloride
SMILESCOc1ccc(CC(N)CO)c(OC(F)(F)F)c1.Cl
InChIInChI=1S/C11H14F3NO3.ClH/c1-17-9-3-2-7(4-8(15)6-16)10(5-9)18-11(12,13)14;/h2-3,5,8,16H,4,6,15H2,1H3;1H
InChIKeySTZGLMRDAXERIT-UHFFFAOYSA-N
MW301.69 g/mol
LogP1.88
Rot. Bonds5

About 2-amino-3-[4-methoxy-2-(trifluoromethoxy)phenyl]propan-1-ol;hydrochloride

2-amino-3-[4-methoxy-2-(trifluoromethoxy)phenyl]propan-1-ol;hydrochloride (PubChem CID 170893691) has the molecular formula C11H15ClF3NO3 and a molecular weight of 301.69 g/mol. Its IUPAC name is 2-amino-3-[4-methoxy-2-(trifluoromethoxy)phenyl]propan-1-ol;hydrochloride.

Molecular Properties

Compound Name2-amino-3-[4-methoxy-2-(trifluoromethoxy)phenyl]propan-1-ol;hydrochloride
PubChem CID170893691
Molecular FormulaC11H15ClF3NO3
Molecular Weight301.69 g/mol
Exact Mass301.07
IUPAC Name2-amino-3-[4-methoxy-2-(trifluoromethoxy)phenyl]propan-1-ol;hydrochloride
SMILESCOc1ccc(CC(N)CO)c(OC(F)(F)F)c1.Cl
InChIInChI=1S/C11H14F3NO3.ClH/c1-17-9-3-2-7(4-8(15)6-16)10(5-9)18-11(12,13)14;/h2-3,5,8,16H,4,6,15H2,1H3;1H
InChIKeySTZGLMRDAXERIT-UHFFFAOYSA-N
XLogP1.88
TPSA64.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.69
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-3-[4-methoxy-2-(trifluoromethoxy)phenyl]propanoic acid
CID 170879632
1-[2-methoxy-4-(trifluoromethoxy)phenyl]butan-2-amine;hydrochloride
CID 170889486
2-amino-3-(4,7-dimethoxynaphthalen-1-yl)propan-1-ol;hydrochloride
CID 170893398
2-amino-3-[4-(dimethylamino)-2-methoxyphenyl]propan-1-ol;hydrochloride
CID 170892242
2-amino-3-[4-(trifluoromethoxy)phenyl]propan-1-ol
CID 64573058
(2R)-2-amino-2-[2-methoxy-4-(trifluoromethoxy)phenyl]ethanol;hydrochloride
CID 171236237
(2S)-2-amino-3-(4-methoxyphenyl)propan-1-ol;hydrochloride
CID 131875869
2-amino-3-[4-(dimethylamino)-2-methoxyphenyl]propan-1-ol
CID 170892243
2-amino-3-(2,4,6-trimethoxyphenyl)propan-1-ol;hydrochloride
CID 170891817
(2S)-2-amino-3-[4-(4-methoxyphenoxy)phenyl]propan-1-ol;hydrochloride
CID 24815980
4-[4-(2-amino-3-hydroxypropyl)-3-methoxyphenoxy]butanoic acid;hydrochloride
CID 170892521
(2R)-2-amino-2-[2-methoxy-5-(trifluoromethoxy)phenyl]ethanol
CID 66515505

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-[4-methoxy-2-(trifluoromethoxy)phenyl]propan-1-ol;hydrochloride?
The IUPAC name of 2-amino-3-[4-methoxy-2-(trifluoromethoxy)phenyl]propan-1-ol;hydrochloride (CID 170893691) is 2-amino-3-[4-methoxy-2-(trifluoromethoxy)phenyl]propan-1-ol;hydrochloride.
What is the SMILES notation for 2-amino-3-[4-methoxy-2-(trifluoromethoxy)phenyl]propan-1-ol;hydrochloride?
The canonical SMILES for 2-amino-3-[4-methoxy-2-(trifluoromethoxy)phenyl]propan-1-ol;hydrochloride is COc1ccc(CC(N)CO)c(OC(F)(F)F)c1.Cl.
What is the InChIKey of 2-amino-3-[4-methoxy-2-(trifluoromethoxy)phenyl]propan-1-ol;hydrochloride?
The InChIKey is STZGLMRDAXERIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3NO3.ClH/c1-17-9-3-2-7(4-8(15)6-16)10(5-9)18-11(12,13)14;/h2-3,5,8,16H,4,6,15H2,1H3;1H.
What are the key properties of 2-amino-3-[4-methoxy-2-(trifluoromethoxy)phenyl]propan-1-ol;hydrochloride?
2-amino-3-[4-methoxy-2-(trifluoromethoxy)phenyl]propan-1-ol;hydrochloride has a molecular weight of 301.69 g/mol, XLogP of 1.88, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-[4-methoxy-2-(trifluoromethoxy)phenyl]propan-1-ol;hydrochloride is sourced from PubChem (CID 170893691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).