5-amino-1-methoxy-2-[[3-(trifluoromethyl)phenyl]methyl]pentan-2-ol

C14H20F3NO2 — CID 103391368

IUPAC5-amino-1-methoxy-2-[[3-(trifluoromethyl)phenyl]methyl]pentan-2-ol
SMILESCOCC(O)(CCCN)Cc1cccc(C(F)(F)F)c1
InChIInChI=1S/C14H20F3NO2/c1-20-10-13(19,6-3-7-18)9-11-4-2-5-12(8-11)14(15,16)17/h2,4-5,8,19H,3,6-7,9-10,18H2,1H3
InChIKeyMUPSOCOPHKJZGQ-UHFFFAOYSA-N
MW291.31 g/mol
LogP2.36
Rot. Bonds7

About 5-amino-1-methoxy-2-[[3-(trifluoromethyl)phenyl]methyl]pentan-2-ol

5-amino-1-methoxy-2-[[3-(trifluoromethyl)phenyl]methyl]pentan-2-ol (PubChem CID 103391368) has the molecular formula C14H20F3NO2 and a molecular weight of 291.31 g/mol. Its IUPAC name is 5-amino-1-methoxy-2-[[3-(trifluoromethyl)phenyl]methyl]pentan-2-ol.

Molecular Properties

Compound Name5-amino-1-methoxy-2-[[3-(trifluoromethyl)phenyl]methyl]pentan-2-ol
PubChem CID103391368
Molecular FormulaC14H20F3NO2
Molecular Weight291.31 g/mol
Exact Mass291.14
IUPAC Name5-amino-1-methoxy-2-[[3-(trifluoromethyl)phenyl]methyl]pentan-2-ol
SMILESCOCC(O)(CCCN)Cc1cccc(C(F)(F)F)c1
InChIInChI=1S/C14H20F3NO2/c1-20-10-13(19,6-3-7-18)9-11-4-2-5-12(8-11)14(15,16)17/h2,4-5,8,19H,3,6-7,9-10,18H2,1H3
InChIKeyMUPSOCOPHKJZGQ-UHFFFAOYSA-N
XLogP2.36
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-Amino-2-[3-(trifluoromethyl)phenyl]ethanol
CID 54299198
3-(Aminomethyl)-4-[3-(trifluoromethyl)phenyl]butan-1-ol
CID 54532979
{6-[2,2-Difluoro-2-(3-methylphenyl)ethoxy]hexyl}amine
CID 67247388
5-Amino-3-benzyl-1,1,1-trifluoropentan-3-ol
CID 68863506
2-Amino-1-phenyl-2-(trifluoromethoxy)pentan-3-ol
CID 68971973
4-Amino-1-phenyl-2-(trifluoromethoxymethyl)butan-2-ol
CID 68971974
(2R)-1-amino-3-(4-fluoro-3-methylphenyl)propan-2-ol
CID 90212631
(2S)-1-amino-3-(4-fluoro-3-methylphenyl)propan-2-ol
CID 90212643
[3-(2,6-Difluoro-3-methylphenyl)-4-hydroxy-4-methoxybutyl]azanium
CID 142270711
7-Amino-3-[(2-fluorophenyl)methyl]heptan-3-ol
CID 144407130
1-[3-(2-Aminoethyl)-2-fluorophenyl]-1,1-difluoro-2-methylpropan-2-ol;hydrochloride
CID 156537163
2-[3-(2-Aminoethyl)-2-fluorophenyl]-2,2-difluoroethanol;hydrochloride
CID 156537349

Frequently Asked Questions

What is the IUPAC name of 5-amino-1-methoxy-2-[[3-(trifluoromethyl)phenyl]methyl]pentan-2-ol?
The IUPAC name of 5-amino-1-methoxy-2-[[3-(trifluoromethyl)phenyl]methyl]pentan-2-ol (CID 103391368) is 5-amino-1-methoxy-2-[[3-(trifluoromethyl)phenyl]methyl]pentan-2-ol.
What is the SMILES notation for 5-amino-1-methoxy-2-[[3-(trifluoromethyl)phenyl]methyl]pentan-2-ol?
The canonical SMILES for 5-amino-1-methoxy-2-[[3-(trifluoromethyl)phenyl]methyl]pentan-2-ol is COCC(O)(CCCN)Cc1cccc(C(F)(F)F)c1.
What is the InChIKey of 5-amino-1-methoxy-2-[[3-(trifluoromethyl)phenyl]methyl]pentan-2-ol?
The InChIKey is MUPSOCOPHKJZGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F3NO2/c1-20-10-13(19,6-3-7-18)9-11-4-2-5-12(8-11)14(15,16)17/h2,4-5,8,19H,3,6-7,9-10,18H2,1H3.
What are the key properties of 5-amino-1-methoxy-2-[[3-(trifluoromethyl)phenyl]methyl]pentan-2-ol?
5-amino-1-methoxy-2-[[3-(trifluoromethyl)phenyl]methyl]pentan-2-ol has a molecular weight of 291.31 g/mol, XLogP of 2.36, 7 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-[[3-(trifluoromethyl)phenyl]methyl]pentan-2-ol is sourced from PubChem (CID 103391368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).