3-[2-methoxy-5-(trifluoromethyl)phenyl]-3-(methylamino)propan-1-ol

C12H16F3NO2 — CID 83921064

IUPAC3-[2-methoxy-5-(trifluoromethyl)phenyl]-3-(methylamino)propan-1-ol
SMILESCNC(CCO)c1cc(C(F)(F)F)ccc1OC
InChIInChI=1S/C12H16F3NO2/c1-16-10(5-6-17)9-7-8(12(13,14)15)3-4-11(9)18-2/h3-4,7,10,16-17H,5-6H2,1-2H3
InChIKeyRYDMSFMXJPYLBA-UHFFFAOYSA-N
MW263.26 g/mol
LogP2.36
Rot. Bonds5

About 3-[2-methoxy-5-(trifluoromethyl)phenyl]-3-(methylamino)propan-1-ol

3-[2-methoxy-5-(trifluoromethyl)phenyl]-3-(methylamino)propan-1-ol (PubChem CID 83921064) has the molecular formula C12H16F3NO2 and a molecular weight of 263.26 g/mol. Its IUPAC name is 3-[2-methoxy-5-(trifluoromethyl)phenyl]-3-(methylamino)propan-1-ol.

Molecular Properties

Compound Name3-[2-methoxy-5-(trifluoromethyl)phenyl]-3-(methylamino)propan-1-ol
PubChem CID83921064
Molecular FormulaC12H16F3NO2
Molecular Weight263.26 g/mol
Exact Mass263.11
IUPAC Name3-[2-methoxy-5-(trifluoromethyl)phenyl]-3-(methylamino)propan-1-ol
SMILESCNC(CCO)c1cc(C(F)(F)F)ccc1OC
InChIInChI=1S/C12H16F3NO2/c1-16-10(5-6-17)9-7-8(12(13,14)15)3-4-11(9)18-2/h3-4,7,10,16-17H,5-6H2,1-2H3
InChIKeyRYDMSFMXJPYLBA-UHFFFAOYSA-N
XLogP2.36
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.26
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(difluoromethyl)-1-methoxy-4-(trifluoromethyl)benzene
CID 46311740
2,2,2-trifluoro-1-[2-methoxy-5-(trifluoromethyl)phenyl]ethanol
CID 83949728
1-(5-tert-butyl-2-methoxyphenyl)-N,N'-dimethylethane-1,2-diamine
CID 116947893
3-(4-chloro-2,5-dimethoxyphenyl)-3-(methylamino)propan-1-ol
CID 83943179
5-[2-methoxy-5-(trifluoromethyl)phenyl]hexan-2-one
CID 83921024
3-(2,5-dimethoxy-3,4-dimethylphenyl)-3-(methylamino)propan-1-ol
CID 116952894
4-[2-methoxy-5-(trifluoromethyl)phenyl]pentan-1-amine
CID 83921087
1-(5-fluoro-2-methoxyphenyl)-1-N-methylpentane-1,4-diamine
CID 116949834
2-(4-bromo-3-methylbutan-2-yl)-1-methoxy-4-(trifluoromethyl)benzene
CID 83921031
1-(2-methoxy-5-methylphenyl)-N-methylbutan-1-amine
CID 43626227
N-[2,3-dihydroxy-3-[2-methoxy-5-(trifluoromethyl)phenyl]propyl]acetamide
CID 170831338
1-(5-chloro-2-methoxyphenyl)-1-N-methylpentane-1,4-diamine
CID 116949835

Frequently Asked Questions

What is the IUPAC name of 3-[2-methoxy-5-(trifluoromethyl)phenyl]-3-(methylamino)propan-1-ol?
The IUPAC name of 3-[2-methoxy-5-(trifluoromethyl)phenyl]-3-(methylamino)propan-1-ol (CID 83921064) is 3-[2-methoxy-5-(trifluoromethyl)phenyl]-3-(methylamino)propan-1-ol.
What is the SMILES notation for 3-[2-methoxy-5-(trifluoromethyl)phenyl]-3-(methylamino)propan-1-ol?
The canonical SMILES for 3-[2-methoxy-5-(trifluoromethyl)phenyl]-3-(methylamino)propan-1-ol is CNC(CCO)c1cc(C(F)(F)F)ccc1OC.
What is the InChIKey of 3-[2-methoxy-5-(trifluoromethyl)phenyl]-3-(methylamino)propan-1-ol?
The InChIKey is RYDMSFMXJPYLBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3NO2/c1-16-10(5-6-17)9-7-8(12(13,14)15)3-4-11(9)18-2/h3-4,7,10,16-17H,5-6H2,1-2H3.
What are the key properties of 3-[2-methoxy-5-(trifluoromethyl)phenyl]-3-(methylamino)propan-1-ol?
3-[2-methoxy-5-(trifluoromethyl)phenyl]-3-(methylamino)propan-1-ol has a molecular weight of 263.26 g/mol, XLogP of 2.36, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-methoxy-5-(trifluoromethyl)phenyl]-3-(methylamino)propan-1-ol is sourced from PubChem (CID 83921064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).