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

C16H17ClF3NO — CID 163407566

IUPAC2-[3-methyl-4-[4-(trifluoromethyl)phenyl]phenoxy]ethanamine;hydrochloride
SMILESCc1cc(OCCN)ccc1-c1ccc(C(F)(F)F)cc1.Cl
InChIInChI=1S/C16H16F3NO.ClH/c1-11-10-14(21-9-8-20)6-7-15(11)12-2-4-13(5-3-12)16(17,18)19;/h2-7,10H,8-9,20H2,1H3;1H
InChIKeyQYVHDQNBQLCZOA-UHFFFAOYSA-N
MW331.77 g/mol
LogP4.44
Rot. Bonds4

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

2-[3-methyl-4-[4-(trifluoromethyl)phenyl]phenoxy]ethanamine;hydrochloride (PubChem CID 163407566) has the molecular formula C16H17ClF3NO and a molecular weight of 331.77 g/mol. Its IUPAC name is 2-[3-methyl-4-[4-(trifluoromethyl)phenyl]phenoxy]ethanamine;hydrochloride.

Molecular Properties

Compound Name2-[3-methyl-4-[4-(trifluoromethyl)phenyl]phenoxy]ethanamine;hydrochloride
PubChem CID163407566
Molecular FormulaC16H17ClF3NO
Molecular Weight331.77 g/mol
Exact Mass331.10
IUPAC Name2-[3-methyl-4-[4-(trifluoromethyl)phenyl]phenoxy]ethanamine;hydrochloride
SMILESCc1cc(OCCN)ccc1-c1ccc(C(F)(F)F)cc1.Cl
InChIInChI=1S/C16H16F3NO.ClH/c1-11-10-14(21-9-8-20)6-7-15(11)12-2-4-13(5-3-12)16(17,18)19;/h2-7,10H,8-9,20H2,1H3;1H
InChIKeyQYVHDQNBQLCZOA-UHFFFAOYSA-N
XLogP4.44
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.77
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[3-methyl-4-[4-(trifluoromethyl)phenyl]phenoxy]ethanamine;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[4-(4-fluorophenyl)-3-methylphenoxy]ethanamine
CID 163407569
4-(2-aminoethoxy)-2-methylaniline;dihydrochloride
CID 164607051
4-(2-aminoethoxy)-2-methylaniline
CID 15870804
2-[4-(3-fluorophenyl)-3-(trifluoromethyl)phenoxy]ethanamine;hydrochloride
CID 163408294
2-methyl-4-propyl-1-[4-(trifluoromethyl)phenyl]benzene
CID 142940681
2-fluoro-4-[9-[3-fluoro-4-[4-(4-fluorophenyl)-3-methylphenyl]phenoxy]nonoxy]-1-[4-(4-fluorophenyl)-3-methylphenyl]benzene
CID 118260681
2-amino-2-[2-[4-(4-butoxy-2-methylphenyl)phenyl]ethyl]propane-1,3-diol;hydrochloride
CID 46205130
2-[4-chloro-3-(trifluoromethyl)phenoxy]ethanamine;hydrochloride
CID 168679987
2-[4-[5,8,11,20-tetrakis[4-(2-aminoethoxy)phenyl]-2-hexacyclo[11.5.2.04,17.07,16.010,15.014,18]icosa-1(19),2,4(17),5,7,9,11,13(20),14(18),15-decaenyl]phenoxy]ethanamine
CID 176747721
2-[4-(3-chlorophenyl)-3-(trifluoromethyl)phenoxy]ethanamine
CID 163408289
2-[4-(2-aminoethoxy)phenoxy]ethanamine;dihydrochloride
CID 46786149
1-butoxy-4-(trifluoromethyl)benzene
CID 16731800

Frequently Asked Questions

What is the IUPAC name of 2-[3-methyl-4-[4-(trifluoromethyl)phenyl]phenoxy]ethanamine;hydrochloride?
The IUPAC name of 2-[3-methyl-4-[4-(trifluoromethyl)phenyl]phenoxy]ethanamine;hydrochloride (CID 163407566) is 2-[3-methyl-4-[4-(trifluoromethyl)phenyl]phenoxy]ethanamine;hydrochloride.
What is the SMILES notation for 2-[3-methyl-4-[4-(trifluoromethyl)phenyl]phenoxy]ethanamine;hydrochloride?
The canonical SMILES for 2-[3-methyl-4-[4-(trifluoromethyl)phenyl]phenoxy]ethanamine;hydrochloride is Cc1cc(OCCN)ccc1-c1ccc(C(F)(F)F)cc1.Cl.
What is the InChIKey of 2-[3-methyl-4-[4-(trifluoromethyl)phenyl]phenoxy]ethanamine;hydrochloride?
The InChIKey is QYVHDQNBQLCZOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F3NO.ClH/c1-11-10-14(21-9-8-20)6-7-15(11)12-2-4-13(5-3-12)16(17,18)19;/h2-7,10H,8-9,20H2,1H3;1H.
What are the key properties of 2-[3-methyl-4-[4-(trifluoromethyl)phenyl]phenoxy]ethanamine;hydrochloride?
2-[3-methyl-4-[4-(trifluoromethyl)phenyl]phenoxy]ethanamine;hydrochloride has a molecular weight of 331.77 g/mol, XLogP of 4.44, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-methyl-4-[4-(trifluoromethyl)phenyl]phenoxy]ethanamine;hydrochloride is sourced from PubChem (CID 163407566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).