2-[4-(3-fluorophenyl)-3-(trifluoromethyl)phenoxy]ethanamine;hydrochloride

C15H14ClF4NO — CID 163408294

IUPAC2-[4-(3-fluorophenyl)-3-(trifluoromethyl)phenoxy]ethanamine;hydrochloride
SMILESCl.NCCOc1ccc(-c2cccc(F)c2)c(C(F)(F)F)c1
InChIInChI=1S/C15H13F4NO.ClH/c16-11-3-1-2-10(8-11)13-5-4-12(21-7-6-20)9-14(13)15(17,18)19;/h1-5,8-9H,6-7,20H2;1H
InChIKeyBPUYSKYNAMFKNM-UHFFFAOYSA-N
MW335.73 g/mol
LogP4.27
Rot. Bonds4

About 2-[4-(3-fluorophenyl)-3-(trifluoromethyl)phenoxy]ethanamine;hydrochloride

2-[4-(3-fluorophenyl)-3-(trifluoromethyl)phenoxy]ethanamine;hydrochloride (PubChem CID 163408294) has the molecular formula C15H14ClF4NO and a molecular weight of 335.73 g/mol. Its IUPAC name is 2-[4-(3-fluorophenyl)-3-(trifluoromethyl)phenoxy]ethanamine;hydrochloride.

Molecular Properties

Compound Name2-[4-(3-fluorophenyl)-3-(trifluoromethyl)phenoxy]ethanamine;hydrochloride
PubChem CID163408294
Molecular FormulaC15H14ClF4NO
Molecular Weight335.73 g/mol
Exact Mass335.07
IUPAC Name2-[4-(3-fluorophenyl)-3-(trifluoromethyl)phenoxy]ethanamine;hydrochloride
SMILESCl.NCCOc1ccc(-c2cccc(F)c2)c(C(F)(F)F)c1
InChIInChI=1S/C15H13F4NO.ClH/c16-11-3-1-2-10(8-11)13-5-4-12(21-7-6-20)9-14(13)15(17,18)19;/h1-5,8-9H,6-7,20H2;1H
InChIKeyBPUYSKYNAMFKNM-UHFFFAOYSA-N
XLogP4.27
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.73
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-(3-chlorophenyl)-3-(trifluoromethyl)phenoxy]ethanamine
CID 163408289
4-[(3-fluorophenyl)methoxy]-1-phenyl-2-(trifluoromethyl)benzene
CID 141169657
2-[4-chloro-3-(trifluoromethyl)phenoxy]ethanamine;hydrochloride
CID 168679987
1-(3-fluorophenyl)-4-iodo-2-(trifluoromethyl)benzene
CID 46312827
4-fluoro-1-[3-(trifluoromethoxy)phenyl]-2-(trifluoromethyl)benzene
CID 134628195
2-[3-methyl-4-[4-(trifluoromethyl)phenyl]phenoxy]ethanamine;hydrochloride
CID 163407566
1-[3-(bromomethyl)phenyl]-4-fluoro-2-(trifluoromethyl)benzene
CID 118086167
4-(5-aminopentoxy)-2-(trifluoromethyl)aniline;dihydrochloride
CID 164576757
2-[4-(4-fluorophenyl)-3-methylphenoxy]ethanamine
CID 163407569
3-[4-chloro-3-(trifluoromethyl)phenoxy]propan-1-amine
CID 83409125
[4-[2-(3-fluorophenoxy)ethoxy]phenyl]methanamine
CID 43254110
2-[4-[3-(trifluoromethoxy)phenyl]-2-(trifluoromethyl)phenoxy]ethanamine
CID 163408376

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-fluorophenyl)-3-(trifluoromethyl)phenoxy]ethanamine;hydrochloride?
The IUPAC name of 2-[4-(3-fluorophenyl)-3-(trifluoromethyl)phenoxy]ethanamine;hydrochloride (CID 163408294) is 2-[4-(3-fluorophenyl)-3-(trifluoromethyl)phenoxy]ethanamine;hydrochloride.
What is the SMILES notation for 2-[4-(3-fluorophenyl)-3-(trifluoromethyl)phenoxy]ethanamine;hydrochloride?
The canonical SMILES for 2-[4-(3-fluorophenyl)-3-(trifluoromethyl)phenoxy]ethanamine;hydrochloride is Cl.NCCOc1ccc(-c2cccc(F)c2)c(C(F)(F)F)c1.
What is the InChIKey of 2-[4-(3-fluorophenyl)-3-(trifluoromethyl)phenoxy]ethanamine;hydrochloride?
The InChIKey is BPUYSKYNAMFKNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F4NO.ClH/c16-11-3-1-2-10(8-11)13-5-4-12(21-7-6-20)9-14(13)15(17,18)19;/h1-5,8-9H,6-7,20H2;1H.
What are the key properties of 2-[4-(3-fluorophenyl)-3-(trifluoromethyl)phenoxy]ethanamine;hydrochloride?
2-[4-(3-fluorophenyl)-3-(trifluoromethyl)phenoxy]ethanamine;hydrochloride has a molecular weight of 335.73 g/mol, XLogP of 4.27, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-fluorophenyl)-3-(trifluoromethyl)phenoxy]ethanamine;hydrochloride is sourced from PubChem (CID 163408294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).