N,N-diethyl-2-[3-(trifluoromethyl)phenoxy]ethanamine;hydrochloride

C13H19ClF3NO — CID 2993847

IUPACN,N-diethyl-2-[3-(trifluoromethyl)phenoxy]ethanamine;hydrochloride
SMILESCCN(CC)CCOc1cccc(C(F)(F)F)c1.Cl
InChIInChI=1S/C13H18F3NO.ClH/c1-3-17(4-2)8-9-18-12-7-5-6-11(10-12)13(14,15)16;/h5-7,10H,3-4,8-9H2,1-2H3;1H
InChIKeyLWHLDABYLYPOCH-UHFFFAOYSA-N
MW297.75 g/mol
LogP3.85
Rot. Bonds6

About N,N-diethyl-2-[3-(trifluoromethyl)phenoxy]ethanamine;hydrochloride

N,N-diethyl-2-[3-(trifluoromethyl)phenoxy]ethanamine;hydrochloride (PubChem CID 2993847) has the molecular formula C13H19ClF3NO and a molecular weight of 297.75 g/mol. Its IUPAC name is N,N-diethyl-2-[3-(trifluoromethyl)phenoxy]ethanamine;hydrochloride.

Molecular Properties

Compound NameN,N-diethyl-2-[3-(trifluoromethyl)phenoxy]ethanamine;hydrochloride
PubChem CID2993847
Molecular FormulaC13H19ClF3NO
Molecular Weight297.75 g/mol
Exact Mass297.11
IUPAC NameN,N-diethyl-2-[3-(trifluoromethyl)phenoxy]ethanamine;hydrochloride
SMILESCCN(CC)CCOc1cccc(C(F)(F)F)c1.Cl
InChIInChI=1S/C13H18F3NO.ClH/c1-3-17(4-2)8-9-18-12-7-5-6-11(10-12)13(14,15)16;/h5-7,10H,3-4,8-9H2,1-2H3;1H
InChIKeyLWHLDABYLYPOCH-UHFFFAOYSA-N
XLogP3.85
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.75
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N,N-diethyl-2-[3-(trifluoromethyl)phenoxy]ethanamine
CID 2993848
2-(3-tert-butylphenoxy)-N,N-diethylethanamine
CID 20619676
1-(trifluoromethyl)-3-[3-[3-(trifluoromethyl)phenoxy]propoxy]benzene
CID 2766200
1-ethoxy-4-[2-[3-(trifluoromethyl)phenoxy]ethoxy]benzene
CID 2283088
N-ethyl-2-[ethyl-[3-[3-(trifluoromethyl)phenoxy]propyl]amino]acetamide
CID 60592990
1-(3,3-dimethylbutoxy)-3-(trifluoromethyl)benzene
CID 58044614
1-methyl-1-[2-[3-(trifluoromethyl)phenoxy]ethyl]urea
CID 150416186
3-[2-(diethylamino)ethoxy]-N,N-dimethylaniline
CID 58006190
3-[3-(trifluoromethyl)phenoxy]propan-1-ol
CID 67274409
N,N-diethyl-3-[4-[1-[3-(trifluoromethyl)phenyl]propyl]phenoxy]propan-1-amine
CID 173414314
N',N'-dimethyl-N-[3-[3-(trifluoromethyl)phenoxy]propyl]ethane-1,2-diamine
CID 2966014
3-[2-[3-(trifluoromethyl)phenoxy]ethoxy]aniline
CID 43366096

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-[3-(trifluoromethyl)phenoxy]ethanamine;hydrochloride?
The IUPAC name of N,N-diethyl-2-[3-(trifluoromethyl)phenoxy]ethanamine;hydrochloride (CID 2993847) is N,N-diethyl-2-[3-(trifluoromethyl)phenoxy]ethanamine;hydrochloride.
What is the SMILES notation for N,N-diethyl-2-[3-(trifluoromethyl)phenoxy]ethanamine;hydrochloride?
The canonical SMILES for N,N-diethyl-2-[3-(trifluoromethyl)phenoxy]ethanamine;hydrochloride is CCN(CC)CCOc1cccc(C(F)(F)F)c1.Cl.
What is the InChIKey of N,N-diethyl-2-[3-(trifluoromethyl)phenoxy]ethanamine;hydrochloride?
The InChIKey is LWHLDABYLYPOCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F3NO.ClH/c1-3-17(4-2)8-9-18-12-7-5-6-11(10-12)13(14,15)16;/h5-7,10H,3-4,8-9H2,1-2H3;1H.
What are the key properties of N,N-diethyl-2-[3-(trifluoromethyl)phenoxy]ethanamine;hydrochloride?
N,N-diethyl-2-[3-(trifluoromethyl)phenoxy]ethanamine;hydrochloride has a molecular weight of 297.75 g/mol, XLogP of 3.85, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-[3-(trifluoromethyl)phenoxy]ethanamine;hydrochloride is sourced from PubChem (CID 2993847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).