2-propan-2-yloxy-1-[3-(trifluoromethyl)phenyl]ethanamine;hydrochloride

C12H17ClF3NO — CID 166520305

IUPAC2-propan-2-yloxy-1-[3-(trifluoromethyl)phenyl]ethanamine;hydrochloride
SMILESCC(C)OCC(N)c1cccc(C(F)(F)F)c1.Cl
InChIInChI=1S/C12H16F3NO.ClH/c1-8(2)17-7-11(16)9-4-3-5-10(6-9)12(13,14)15;/h3-6,8,11H,7,16H2,1-2H3;1H
InChIKeyWJYVYTZBCHSQRG-UHFFFAOYSA-N
MW283.72 g/mol
LogP3.55
Rot. Bonds4

About 2-propan-2-yloxy-1-[3-(trifluoromethyl)phenyl]ethanamine;hydrochloride

2-propan-2-yloxy-1-[3-(trifluoromethyl)phenyl]ethanamine;hydrochloride (PubChem CID 166520305) has the molecular formula C12H17ClF3NO and a molecular weight of 283.72 g/mol. Its IUPAC name is 2-propan-2-yloxy-1-[3-(trifluoromethyl)phenyl]ethanamine;hydrochloride.

Molecular Properties

Compound Name2-propan-2-yloxy-1-[3-(trifluoromethyl)phenyl]ethanamine;hydrochloride
PubChem CID166520305
Molecular FormulaC12H17ClF3NO
Molecular Weight283.72 g/mol
Exact Mass283.10
IUPAC Name2-propan-2-yloxy-1-[3-(trifluoromethyl)phenyl]ethanamine;hydrochloride
SMILESCC(C)OCC(N)c1cccc(C(F)(F)F)c1.Cl
InChIInChI=1S/C12H16F3NO.ClH/c1-8(2)17-7-11(16)9-4-3-5-10(6-9)12(13,14)15;/h3-6,8,11H,7,16H2,1-2H3;1H
InChIKeyWJYVYTZBCHSQRG-UHFFFAOYSA-N
XLogP3.55
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.72
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-1-[3-(trifluoromethyl)phenyl]pentan-1-amine;hydrochloride
CID 171226375
2-propan-2-ylsulfanyl-1-[3-(trifluoromethyl)phenyl]ethanamine
CID 64634045
(1S)-1-[3-(trifluoromethyl)phenyl]ethanamine
CID 7023585
[2-amino-2-[3-(trifluoromethyl)phenyl]ethyl] 2,2,2-trifluoroacetate
CID 87099816
(1R)-1-[3-(trifluoromethyl)phenyl]hexan-1-amine;hydrochloride
CID 171206800
N'-methyl-N'-(2-methylpropyl)-1-[3-(trifluoromethyl)phenyl]ethane-1,2-diamine
CID 54938195
(1R)-2-methyl-1-[3-(trifluoromethyl)phenyl]propan-1-amine;hydrochloride
CID 170986461
2-(4-methylcyclohexyl)oxy-1-[3-(trifluoromethyl)phenyl]ethanamine
CID 45253532
(4S)-4-amino-4-[3-(trifluoromethyl)phenyl]butan-1-ol;hydrochloride
CID 171226401
1-phenyl-2-[3-(trifluoromethyl)phenoxy]ethanamine;hydrochloride
CID 164622114
2-nitro-1-[3-(trifluoromethyl)phenyl]ethanamine;hydrochloride
CID 68646447
(1R)-3-methyl-1-[3-(trifluoromethyl)phenyl]but-3-en-1-amine
CID 171206817

Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yloxy-1-[3-(trifluoromethyl)phenyl]ethanamine;hydrochloride?
The IUPAC name of 2-propan-2-yloxy-1-[3-(trifluoromethyl)phenyl]ethanamine;hydrochloride (CID 166520305) is 2-propan-2-yloxy-1-[3-(trifluoromethyl)phenyl]ethanamine;hydrochloride.
What is the SMILES notation for 2-propan-2-yloxy-1-[3-(trifluoromethyl)phenyl]ethanamine;hydrochloride?
The canonical SMILES for 2-propan-2-yloxy-1-[3-(trifluoromethyl)phenyl]ethanamine;hydrochloride is CC(C)OCC(N)c1cccc(C(F)(F)F)c1.Cl.
What is the InChIKey of 2-propan-2-yloxy-1-[3-(trifluoromethyl)phenyl]ethanamine;hydrochloride?
The InChIKey is WJYVYTZBCHSQRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3NO.ClH/c1-8(2)17-7-11(16)9-4-3-5-10(6-9)12(13,14)15;/h3-6,8,11H,7,16H2,1-2H3;1H.
What are the key properties of 2-propan-2-yloxy-1-[3-(trifluoromethyl)phenyl]ethanamine;hydrochloride?
2-propan-2-yloxy-1-[3-(trifluoromethyl)phenyl]ethanamine;hydrochloride has a molecular weight of 283.72 g/mol, XLogP of 3.55, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yloxy-1-[3-(trifluoromethyl)phenyl]ethanamine;hydrochloride is sourced from PubChem (CID 166520305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).