5-amino-1-methoxy-2-[2-methyl-4-(trifluoromethyl)phenyl]pentan-2-ol

C14H20F3NO2 — CID 103391542

IUPAC5-amino-1-methoxy-2-[2-methyl-4-(trifluoromethyl)phenyl]pentan-2-ol
SMILESCOCC(O)(CCCN)c1ccc(C(F)(F)F)cc1C
InChIInChI=1S/C14H20F3NO2/c1-10-8-11(14(15,16)17)4-5-12(10)13(19,9-20-2)6-3-7-18/h4-5,8,19H,3,6-7,9,18H2,1-2H3
InChIKeyJYAZDRRDZXGQSH-UHFFFAOYSA-N
MW291.31 g/mol
LogP2.59
Rot. Bonds6

About 5-amino-1-methoxy-2-[2-methyl-4-(trifluoromethyl)phenyl]pentan-2-ol

5-amino-1-methoxy-2-[2-methyl-4-(trifluoromethyl)phenyl]pentan-2-ol (PubChem CID 103391542) has the molecular formula C14H20F3NO2 and a molecular weight of 291.31 g/mol. Its IUPAC name is 5-amino-1-methoxy-2-[2-methyl-4-(trifluoromethyl)phenyl]pentan-2-ol.

Molecular Properties

Compound Name5-amino-1-methoxy-2-[2-methyl-4-(trifluoromethyl)phenyl]pentan-2-ol
PubChem CID103391542
Molecular FormulaC14H20F3NO2
Molecular Weight291.31 g/mol
Exact Mass291.14
IUPAC Name5-amino-1-methoxy-2-[2-methyl-4-(trifluoromethyl)phenyl]pentan-2-ol
SMILESCOCC(O)(CCCN)c1ccc(C(F)(F)F)cc1C
InChIInChI=1S/C14H20F3NO2/c1-10-8-11(14(15,16)17)4-5-12(10)13(19,9-20-2)6-3-7-18/h4-5,8,19H,3,6-7,9,18H2,1-2H3
InChIKeyJYAZDRRDZXGQSH-UHFFFAOYSA-N
XLogP2.59
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-1-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-2-(4-chloro-2-methylphenyl)butan-2-ol
CID 11510817
5-amino-1-methoxy-2-[[3-(trifluoromethyl)phenyl]methyl]pentan-2-ol
CID 103391368
1-(2-methoxyethylamino)-2-[2-methyl-4-(trifluoromethyl)phenyl]propan-2-ol
CID 102756270
4-fluoro-4-(4-fluorophenyl)-5-methoxypentan-1-amine
CID 103392579
4-fluoro-5-methoxy-4-(2-methoxy-3,4-dimethylphenyl)pentan-1-amine
CID 103434758
[2-fluoro-4-(trifluoromethyl)phenyl]-methoxymethanediol
CID 171823177
5-amino-2-isoquinolin-5-yl-1-methoxypentan-2-ol
CID 103391450
5-amino-2-(1-benzofuran-2-yl)-1-methoxypentan-2-ol
CID 103391600
2-[4-fluoro-3-(trifluoromethyl)phenyl]-1-methoxypropan-2-ol
CID 107287106
5-[2-methyl-4-(trifluoromethyl)phenyl]pent-4-yn-1-amine
CID 106220221
2-[2-methyl-4-(trifluoromethyl)phenyl]-1-phenylpropan-2-ol
CID 102751228
2-methoxy-1-phenyl-1-[3-(trifluoromethyl)phenyl]ethanol
CID 103465713

Frequently Asked Questions

What is the IUPAC name of 5-amino-1-methoxy-2-[2-methyl-4-(trifluoromethyl)phenyl]pentan-2-ol?
The IUPAC name of 5-amino-1-methoxy-2-[2-methyl-4-(trifluoromethyl)phenyl]pentan-2-ol (CID 103391542) is 5-amino-1-methoxy-2-[2-methyl-4-(trifluoromethyl)phenyl]pentan-2-ol.
What is the SMILES notation for 5-amino-1-methoxy-2-[2-methyl-4-(trifluoromethyl)phenyl]pentan-2-ol?
The canonical SMILES for 5-amino-1-methoxy-2-[2-methyl-4-(trifluoromethyl)phenyl]pentan-2-ol is COCC(O)(CCCN)c1ccc(C(F)(F)F)cc1C.
What is the InChIKey of 5-amino-1-methoxy-2-[2-methyl-4-(trifluoromethyl)phenyl]pentan-2-ol?
The InChIKey is JYAZDRRDZXGQSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F3NO2/c1-10-8-11(14(15,16)17)4-5-12(10)13(19,9-20-2)6-3-7-18/h4-5,8,19H,3,6-7,9,18H2,1-2H3.
What are the key properties of 5-amino-1-methoxy-2-[2-methyl-4-(trifluoromethyl)phenyl]pentan-2-ol?
5-amino-1-methoxy-2-[2-methyl-4-(trifluoromethyl)phenyl]pentan-2-ol has a molecular weight of 291.31 g/mol, XLogP of 2.59, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-methoxy-2-[2-methyl-4-(trifluoromethyl)phenyl]pentan-2-ol is sourced from PubChem (CID 103391542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).