1-[benzyl(methyl)amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol

C18H20F3NO2 — CID 166193938

IUPAC1-[benzyl(methyl)amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol
SMILESCN(Cc1ccccc1)CC(O)COc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C18H20F3NO2/c1-22(11-14-5-3-2-4-6-14)12-16(23)13-24-17-9-7-15(8-10-17)18(19,20)21/h2-10,16,23H,11-13H2,1H3
InChIKeyBXMDBZJGTUSITD-UHFFFAOYSA-N
MW339.36 g/mol
LogP3.58
Rot. Bonds7

About 1-[benzyl(methyl)amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol

1-[benzyl(methyl)amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol (PubChem CID 166193938) has the molecular formula C18H20F3NO2 and a molecular weight of 339.36 g/mol. Its IUPAC name is 1-[benzyl(methyl)amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol.

Molecular Properties

Compound Name1-[benzyl(methyl)amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol
PubChem CID166193938
Molecular FormulaC18H20F3NO2
Molecular Weight339.36 g/mol
Exact Mass339.14
IUPAC Name1-[benzyl(methyl)amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol
SMILESCN(Cc1ccccc1)CC(O)COc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C18H20F3NO2/c1-22(11-14-5-3-2-4-6-14)12-16(23)13-24-17-9-7-15(8-10-17)18(19,20)21/h2-10,16,23H,11-13H2,1H3
InChIKeyBXMDBZJGTUSITD-UHFFFAOYSA-N
XLogP3.58
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.36
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[benzyl(methyl)amino]-3-(4-methoxyphenoxy)propan-2-ol
CID 110877486
(2R)-1-[benzyl(methyl)amino]-3-[4-[[(4-fluorophenyl)methylamino]methyl]phenoxy]propan-2-ol
CID 26323939
4-[3-[benzyl(methyl)amino]-2-hydroxypropoxy]benzamide
CID 109415224
(2S)-2-amino-N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-N-methyl-3-phenylpropanamide
CID 119298814
methyl 3-[2-hydroxy-3-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]propoxy]benzoate
CID 17477681
1-[(4-fluorophenyl)methyl-methylamino]-3-(4-phenyldiazenylphenoxy)propan-2-ol
CID 175691841
(2S)-1-[benzyl(methyl)amino]-3-[4-[[methyl-[(5-methylfuran-2-yl)methyl]amino]methyl]phenoxy]propan-2-ol
CID 42342616
1-[benzyl(methyl)amino]-3-[4-[(4-fluoropiperidin-1-yl)methyl]phenoxy]propan-2-ol
CID 72897099
(2S)-1-(dimethylamino)-3-[4-[[methyl-[[2-(trifluoromethyl)phenyl]methyl]amino]methyl]phenoxy]propan-2-ol
CID 42147600
4-[3-[benzyl(methyl)amino]-2-hydroxypropoxy]-2-fluorobenzonitrile
CID 109415963
(2R)-1-[methyl-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)methyl]amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol
CID 97213727
1-[4-(trifluoromethyl)phenoxy]pentan-2-ol
CID 117241736

Frequently Asked Questions

What is the IUPAC name of 1-[benzyl(methyl)amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol?
The IUPAC name of 1-[benzyl(methyl)amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol (CID 166193938) is 1-[benzyl(methyl)amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol.
What is the SMILES notation for 1-[benzyl(methyl)amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol?
The canonical SMILES for 1-[benzyl(methyl)amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol is CN(Cc1ccccc1)CC(O)COc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 1-[benzyl(methyl)amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol?
The InChIKey is BXMDBZJGTUSITD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F3NO2/c1-22(11-14-5-3-2-4-6-14)12-16(23)13-24-17-9-7-15(8-10-17)18(19,20)21/h2-10,16,23H,11-13H2,1H3.
What are the key properties of 1-[benzyl(methyl)amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol?
1-[benzyl(methyl)amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol has a molecular weight of 339.36 g/mol, XLogP of 3.58, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[benzyl(methyl)amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol is sourced from PubChem (CID 166193938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).