(1R)-2,2,2-trifluoro-1-(2,4,6-trimethoxyphenyl)ethanamine;hydrochloride

C11H15ClF3NO3 — CID 171239954

IUPAC(1R)-2,2,2-trifluoro-1-(2,4,6-trimethoxyphenyl)ethanamine;hydrochloride
SMILESCOc1cc(OC)c([C@@H](N)C(F)(F)F)c(OC)c1.Cl
InChIInChI=1S/C11H14F3NO3.ClH/c1-16-6-4-7(17-2)9(8(5-6)18-3)10(15)11(12,13)14;/h4-5,10H,15H2,1-3H3;1H/t10-;/m1./s1
InChIKeyCRWQZOPOPWGQGL-HNCPQSOCSA-N
MW301.69 g/mol
LogP2.70
Rot. Bonds4

About (1R)-2,2,2-trifluoro-1-(2,4,6-trimethoxyphenyl)ethanamine;hydrochloride

(1R)-2,2,2-trifluoro-1-(2,4,6-trimethoxyphenyl)ethanamine;hydrochloride (PubChem CID 171239954) has the molecular formula C11H15ClF3NO3 and a molecular weight of 301.69 g/mol. Its IUPAC name is (1R)-2,2,2-trifluoro-1-(2,4,6-trimethoxyphenyl)ethanamine;hydrochloride.

Molecular Properties

Compound Name(1R)-2,2,2-trifluoro-1-(2,4,6-trimethoxyphenyl)ethanamine;hydrochloride
PubChem CID171239954
Molecular FormulaC11H15ClF3NO3
Molecular Weight301.69 g/mol
Exact Mass301.07
IUPAC Name(1R)-2,2,2-trifluoro-1-(2,4,6-trimethoxyphenyl)ethanamine;hydrochloride
SMILESCOc1cc(OC)c([C@@H](N)C(F)(F)F)c(OC)c1.Cl
InChIInChI=1S/C11H14F3NO3.ClH/c1-16-6-4-7(17-2)9(8(5-6)18-3)10(15)11(12,13)14;/h4-5,10H,15H2,1-3H3;1H/t10-;/m1./s1
InChIKeyCRWQZOPOPWGQGL-HNCPQSOCSA-N
XLogP2.70
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.69
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (1R)-2,2,2-trifluoro-1-(2,4,6-trimethoxyphenyl)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

(1R,3R)-3-amino-4,4,4-trifluoro-1-(2,4,6-trimethoxyphenyl)butan-1-ol;hydrochloride
CID 171237897
(1S,3S)-3-amino-4,4,4-trifluoro-1-(2,4,6-trimethoxyphenyl)butan-1-ol
CID 171237284
2-[(1R)-1-amino-2,2,3,3,3-pentafluoropropyl]-3,5-dimethoxyphenol
CID 171312435
methyl (3S)-3-amino-2,2-dimethyl-3-(2,4,6-trimethoxyphenyl)propanoate;hydrochloride
CID 171246663
(1R)-2-methyl-1-(2,4,6-trimethoxyphenyl)butan-1-amine;hydrochloride
CID 171201061
(1S)-1-(2,4,6-trimethoxyphenyl)ethane-1,2-diamine;hydrochloride
CID 171201024
(1S)-3,3-difluoro-1-(2,4,6-trimethoxyphenyl)propan-1-amine;hydrochloride
CID 171312905
(1R)-1-(2,4,6-trimethoxyphenyl)propane-1,3-diamine;hydrochloride
CID 171201026
2-[(1R)-1-amino-2,2-difluoroethyl]-3,5-dimethoxyphenol;hydrochloride
CID 171242035
hydrazinyl-(2,4,6-trimethoxyphenyl)methanamine
CID 116947477
2-amino-2-(2,4,6-trimethoxyphenyl)acetonitrile
CID 43344273
N-ethyl-2,2,2-trifluoro-1-(2,4,6-trimethoxyphenyl)ethanamine
CID 43490252

Frequently Asked Questions

What is the IUPAC name of (1R)-2,2,2-trifluoro-1-(2,4,6-trimethoxyphenyl)ethanamine;hydrochloride?
The IUPAC name of (1R)-2,2,2-trifluoro-1-(2,4,6-trimethoxyphenyl)ethanamine;hydrochloride (CID 171239954) is (1R)-2,2,2-trifluoro-1-(2,4,6-trimethoxyphenyl)ethanamine;hydrochloride.
What is the SMILES notation for (1R)-2,2,2-trifluoro-1-(2,4,6-trimethoxyphenyl)ethanamine;hydrochloride?
The canonical SMILES for (1R)-2,2,2-trifluoro-1-(2,4,6-trimethoxyphenyl)ethanamine;hydrochloride is COc1cc(OC)c([C@@H](N)C(F)(F)F)c(OC)c1.Cl.
What is the InChIKey of (1R)-2,2,2-trifluoro-1-(2,4,6-trimethoxyphenyl)ethanamine;hydrochloride?
The InChIKey is CRWQZOPOPWGQGL-HNCPQSOCSA-N. The full InChI is InChI=1S/C11H14F3NO3.ClH/c1-16-6-4-7(17-2)9(8(5-6)18-3)10(15)11(12,13)14;/h4-5,10H,15H2,1-3H3;1H/t10-;/m1./s1.
What are the key properties of (1R)-2,2,2-trifluoro-1-(2,4,6-trimethoxyphenyl)ethanamine;hydrochloride?
(1R)-2,2,2-trifluoro-1-(2,4,6-trimethoxyphenyl)ethanamine;hydrochloride has a molecular weight of 301.69 g/mol, XLogP of 2.70, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2,2,2-trifluoro-1-(2,4,6-trimethoxyphenyl)ethanamine;hydrochloride is sourced from PubChem (CID 171239954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).