3-[[4-(methylaminomethyl)-2-(trifluoromethyl)phenoxy]methyl]pentan-3-ol

C15H22F3NO2 — CID 114492086

IUPAC3-[[4-(methylaminomethyl)-2-(trifluoromethyl)phenoxy]methyl]pentan-3-ol
SMILESCCC(O)(CC)COc1ccc(CNC)cc1C(F)(F)F
InChIInChI=1S/C15H22F3NO2/c1-4-14(20,5-2)10-21-13-7-6-11(9-19-3)8-12(13)15(16,17)18/h6-8,19-20H,4-5,9-10H2,1-3H3
InChIKeyJSFNOGWMSXZYDS-UHFFFAOYSA-N
MW305.34 g/mol
LogP3.35
Rot. Bonds7

About 3-[[4-(methylaminomethyl)-2-(trifluoromethyl)phenoxy]methyl]pentan-3-ol

3-[[4-(methylaminomethyl)-2-(trifluoromethyl)phenoxy]methyl]pentan-3-ol (PubChem CID 114492086) has the molecular formula C15H22F3NO2 and a molecular weight of 305.34 g/mol. Its IUPAC name is 3-[[4-(methylaminomethyl)-2-(trifluoromethyl)phenoxy]methyl]pentan-3-ol.

Molecular Properties

Compound Name3-[[4-(methylaminomethyl)-2-(trifluoromethyl)phenoxy]methyl]pentan-3-ol
PubChem CID114492086
Molecular FormulaC15H22F3NO2
Molecular Weight305.34 g/mol
Exact Mass305.16
IUPAC Name3-[[4-(methylaminomethyl)-2-(trifluoromethyl)phenoxy]methyl]pentan-3-ol
SMILESCCC(O)(CC)COc1ccc(CNC)cc1C(F)(F)F
InChIInChI=1S/C15H22F3NO2/c1-4-14(20,5-2)10-21-13-7-6-11(9-19-3)8-12(13)15(16,17)18/h6-8,19-20H,4-5,9-10H2,1-3H3
InChIKeyJSFNOGWMSXZYDS-UHFFFAOYSA-N
XLogP3.35
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.34
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(ethoxymethoxy)-3-(trifluoromethyl)phenyl]-N-methylmethanamine
CID 65369124
1-[2-fluoro-4-(methylaminomethyl)phenoxy]-2-methylbutan-2-ol
CID 107686628
N-methyl-1-[4-(2-methylbutoxy)-3-(trifluoromethyl)phenyl]methanamine
CID 55204337
N-methyl-1-[3-(trifluoromethyl)-4-[2-(trifluoromethylsulfanyl)ethoxy]phenyl]methanamine
CID 116615110
1-[4-methoxy-3-(2,2,2-trifluoroethoxy)phenyl]-N-methylmethanamine
CID 43278729
1-[4-(cyclopropylmethoxymethoxy)-3-(trifluoromethyl)phenyl]-N-methylmethanamine
CID 106929309
N-[[4-(2-fluoroethoxy)-3-(trifluoromethyl)phenyl]methyl]ethanamine
CID 80700225
1-[4-cycloheptyloxy-3-(trifluoromethyl)phenyl]-N-methylmethanamine
CID 82925757
methyl 5-(methylaminomethyl)-2-(2,2,2-trifluoroethoxy)benzoate
CID 162679070
N-[[4-methoxy-3-(trifluoromethyl)phenyl]methyl]hydroxylamine
CID 117315144
N-[[4-prop-2-enoxy-3-(trifluoromethyl)phenyl]methyl]ethanamine
CID 63319634
N-methyl-1-[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]-3-(trifluoromethyl)phenyl]methanamine
CID 63319579

Frequently Asked Questions

What is the IUPAC name of 3-[[4-(methylaminomethyl)-2-(trifluoromethyl)phenoxy]methyl]pentan-3-ol?
The IUPAC name of 3-[[4-(methylaminomethyl)-2-(trifluoromethyl)phenoxy]methyl]pentan-3-ol (CID 114492086) is 3-[[4-(methylaminomethyl)-2-(trifluoromethyl)phenoxy]methyl]pentan-3-ol.
What is the SMILES notation for 3-[[4-(methylaminomethyl)-2-(trifluoromethyl)phenoxy]methyl]pentan-3-ol?
The canonical SMILES for 3-[[4-(methylaminomethyl)-2-(trifluoromethyl)phenoxy]methyl]pentan-3-ol is CCC(O)(CC)COc1ccc(CNC)cc1C(F)(F)F.
What is the InChIKey of 3-[[4-(methylaminomethyl)-2-(trifluoromethyl)phenoxy]methyl]pentan-3-ol?
The InChIKey is JSFNOGWMSXZYDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F3NO2/c1-4-14(20,5-2)10-21-13-7-6-11(9-19-3)8-12(13)15(16,17)18/h6-8,19-20H,4-5,9-10H2,1-3H3.
What are the key properties of 3-[[4-(methylaminomethyl)-2-(trifluoromethyl)phenoxy]methyl]pentan-3-ol?
3-[[4-(methylaminomethyl)-2-(trifluoromethyl)phenoxy]methyl]pentan-3-ol has a molecular weight of 305.34 g/mol, XLogP of 3.35, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(methylaminomethyl)-2-(trifluoromethyl)phenoxy]methyl]pentan-3-ol is sourced from PubChem (CID 114492086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).