(1R,3R)-3-amino-4,4,4-trifluoro-1-(2-methoxyphenyl)butan-1-ol;hydrochloride

C11H15ClF3NO2 — CID 171237893

IUPAC(1R,3R)-3-amino-4,4,4-trifluoro-1-(2-methoxyphenyl)butan-1-ol;hydrochloride
SMILESCOc1ccccc1[C@H](O)C[C@@H](N)C(F)(F)F.Cl
InChIInChI=1S/C11H14F3NO2.ClH/c1-17-9-5-3-2-4-7(9)8(16)6-10(15)11(12,13)14;/h2-5,8,10,16H,6,15H2,1H3;1H/t8-,10-;/m1./s1
InChIKeyIMPCIJKZWSGIJA-GHXDPTCOSA-N
MW285.69 g/mol
LogP2.43
Rot. Bonds4

About (1R,3R)-3-amino-4,4,4-trifluoro-1-(2-methoxyphenyl)butan-1-ol;hydrochloride

(1R,3R)-3-amino-4,4,4-trifluoro-1-(2-methoxyphenyl)butan-1-ol;hydrochloride (PubChem CID 171237893) has the molecular formula C11H15ClF3NO2 and a molecular weight of 285.69 g/mol. Its IUPAC name is (1R,3R)-3-amino-4,4,4-trifluoro-1-(2-methoxyphenyl)butan-1-ol;hydrochloride.

Molecular Properties

Compound Name(1R,3R)-3-amino-4,4,4-trifluoro-1-(2-methoxyphenyl)butan-1-ol;hydrochloride
PubChem CID171237893
Molecular FormulaC11H15ClF3NO2
Molecular Weight285.69 g/mol
Exact Mass285.07
IUPAC Name(1R,3R)-3-amino-4,4,4-trifluoro-1-(2-methoxyphenyl)butan-1-ol;hydrochloride
SMILESCOc1ccccc1[C@H](O)C[C@@H](N)C(F)(F)F.Cl
InChIInChI=1S/C11H14F3NO2.ClH/c1-17-9-5-3-2-4-7(9)8(16)6-10(15)11(12,13)14;/h2-5,8,10,16H,6,15H2,1H3;1H/t8-,10-;/m1./s1
InChIKeyIMPCIJKZWSGIJA-GHXDPTCOSA-N
XLogP2.43
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.69
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(1R,3S)-3-amino-1-(2-methoxyphenyl)-4,4-dimethylpentan-1-ol
CID 171236822
(1S,3R)-3-amino-1-(2-methoxyphenyl)-4,4-dimethylpentan-1-ol
CID 171237432
2-[(1S,3R)-3-amino-4,4,4-trifluoro-1-hydroxybutyl]phenol;hydrochloride
CID 171237589
2-amino-1-(2-methoxyphenyl)ethanol;hydrochloride
CID 54593518
(1R,3R)-3-amino-1-(3,4-dimethoxyphenyl)-4,4,4-trifluorobutan-1-ol;hydrochloride
CID 171237871
(1S,3R)-3-amino-1-(3,4-dimethoxyphenyl)-4,4,4-trifluorobutan-1-ol;hydrochloride
CID 171237565
(1R,3R)-3-amino-4,4,4-trifluoro-1-(2,4,6-trimethoxyphenyl)butan-1-ol;hydrochloride
CID 171237897
(1S,3S)-3-amino-4,4,4-trifluoro-1-naphthalen-1-ylbutan-1-ol
CID 171237294
(1R,3R)-3-amino-4,4,4-trifluoro-1-(4-fluoro-3-methoxyphenyl)butan-1-ol;hydrochloride
CID 171237783
(1S,3S)-3-amino-4,4,4-trifluoro-1-(2,4,6-trimethoxyphenyl)butan-1-ol
CID 171237284
(1R,3R)-3-amino-4,4,4-trifluoro-1-phenylbutan-1-ol;hydrochloride
CID 171237918
(1R,3S)-3-amino-1-(3-bromo-4-methoxyphenyl)-4,4,4-trifluorobutan-1-ol;hydrochloride
CID 171236925

Frequently Asked Questions

What is the IUPAC name of (1R,3R)-3-amino-4,4,4-trifluoro-1-(2-methoxyphenyl)butan-1-ol;hydrochloride?
The IUPAC name of (1R,3R)-3-amino-4,4,4-trifluoro-1-(2-methoxyphenyl)butan-1-ol;hydrochloride (CID 171237893) is (1R,3R)-3-amino-4,4,4-trifluoro-1-(2-methoxyphenyl)butan-1-ol;hydrochloride.
What is the SMILES notation for (1R,3R)-3-amino-4,4,4-trifluoro-1-(2-methoxyphenyl)butan-1-ol;hydrochloride?
The canonical SMILES for (1R,3R)-3-amino-4,4,4-trifluoro-1-(2-methoxyphenyl)butan-1-ol;hydrochloride is COc1ccccc1[C@H](O)C[C@@H](N)C(F)(F)F.Cl.
What is the InChIKey of (1R,3R)-3-amino-4,4,4-trifluoro-1-(2-methoxyphenyl)butan-1-ol;hydrochloride?
The InChIKey is IMPCIJKZWSGIJA-GHXDPTCOSA-N. The full InChI is InChI=1S/C11H14F3NO2.ClH/c1-17-9-5-3-2-4-7(9)8(16)6-10(15)11(12,13)14;/h2-5,8,10,16H,6,15H2,1H3;1H/t8-,10-;/m1./s1.
What are the key properties of (1R,3R)-3-amino-4,4,4-trifluoro-1-(2-methoxyphenyl)butan-1-ol;hydrochloride?
(1R,3R)-3-amino-4,4,4-trifluoro-1-(2-methoxyphenyl)butan-1-ol;hydrochloride has a molecular weight of 285.69 g/mol, XLogP of 2.43, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,3R)-3-amino-4,4,4-trifluoro-1-(2-methoxyphenyl)butan-1-ol;hydrochloride is sourced from PubChem (CID 171237893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).