2-(methylamino)-4-[2-(trifluoromethyl)phenoxy]butan-1-ol

C12H16F3NO2 — CID 64803666

IUPAC2-(methylamino)-4-[2-(trifluoromethyl)phenoxy]butan-1-ol
SMILESCNC(CO)CCOc1ccccc1C(F)(F)F
InChIInChI=1S/C12H16F3NO2/c1-16-9(8-17)6-7-18-11-5-3-2-4-10(11)12(13,14)15/h2-5,9,16-17H,6-8H2,1H3
InChIKeyQJAPQCNCQPHJAG-UHFFFAOYSA-N
MW263.26 g/mol
LogP2.05
Rot. Bonds6

About 2-(methylamino)-4-[2-(trifluoromethyl)phenoxy]butan-1-ol

2-(methylamino)-4-[2-(trifluoromethyl)phenoxy]butan-1-ol (PubChem CID 64803666) has the molecular formula C12H16F3NO2 and a molecular weight of 263.26 g/mol. Its IUPAC name is 2-(methylamino)-4-[2-(trifluoromethyl)phenoxy]butan-1-ol.

Molecular Properties

Compound Name2-(methylamino)-4-[2-(trifluoromethyl)phenoxy]butan-1-ol
PubChem CID64803666
Molecular FormulaC12H16F3NO2
Molecular Weight263.26 g/mol
Exact Mass263.11
IUPAC Name2-(methylamino)-4-[2-(trifluoromethyl)phenoxy]butan-1-ol
SMILESCNC(CO)CCOc1ccccc1C(F)(F)F
InChIInChI=1S/C12H16F3NO2/c1-16-9(8-17)6-7-18-11-5-3-2-4-10(11)12(13,14)15/h2-5,9,16-17H,6-8H2,1H3
InChIKeyQJAPQCNCQPHJAG-UHFFFAOYSA-N
XLogP2.05
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.26
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(cyclopropylamino)-4-[2-(trifluoromethyl)phenoxy]butan-1-ol
CID 64804090
4-(2-methoxyphenoxy)-2-(methylamino)butan-1-ol
CID 64803973
2-(methylamino)-4-[2-(trifluoromethyl)phenoxy]butanenitrile
CID 55143143
N-methyl-1-[2-(trifluoromethyl)phenoxy]pentan-2-amine
CID 62043196
4-(2,4-difluorophenoxy)-2-(methylamino)butan-1-ol
CID 64803462
4-(2-tert-butyl-5-methylphenoxy)-2-(methylamino)butan-1-ol
CID 64811237
4-(2-fluoro-5-methylphenoxy)-2-(methylamino)butan-1-ol
CID 64856313
2-(propan-2-ylamino)-4-[2-(trifluoromethyl)phenoxy]butanoic acid
CID 63041584
N-methyl-5-[2-(trifluoromethyl)phenoxy]pentan-1-amine
CID 62451818
1-(2-methoxyethoxy)-2-(trifluoromethyl)benzene
CID 25185445
2-ethoxy-4-[2-(trifluoromethyl)phenoxy]butan-1-amine
CID 55145902
2-methyl-1-propan-2-yl-3-[2-[2-(trifluoromethyl)phenoxy]ethyl]guanidine
CID 111780519

Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-4-[2-(trifluoromethyl)phenoxy]butan-1-ol?
The IUPAC name of 2-(methylamino)-4-[2-(trifluoromethyl)phenoxy]butan-1-ol (CID 64803666) is 2-(methylamino)-4-[2-(trifluoromethyl)phenoxy]butan-1-ol.
What is the SMILES notation for 2-(methylamino)-4-[2-(trifluoromethyl)phenoxy]butan-1-ol?
The canonical SMILES for 2-(methylamino)-4-[2-(trifluoromethyl)phenoxy]butan-1-ol is CNC(CO)CCOc1ccccc1C(F)(F)F.
What is the InChIKey of 2-(methylamino)-4-[2-(trifluoromethyl)phenoxy]butan-1-ol?
The InChIKey is QJAPQCNCQPHJAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3NO2/c1-16-9(8-17)6-7-18-11-5-3-2-4-10(11)12(13,14)15/h2-5,9,16-17H,6-8H2,1H3.
What are the key properties of 2-(methylamino)-4-[2-(trifluoromethyl)phenoxy]butan-1-ol?
2-(methylamino)-4-[2-(trifluoromethyl)phenoxy]butan-1-ol has a molecular weight of 263.26 g/mol, XLogP of 2.05, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-4-[2-(trifluoromethyl)phenoxy]butan-1-ol is sourced from PubChem (CID 64803666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).