(1S)-2-methoxy-1-(2,4,6-trifluorophenyl)ethanamine

C9H10F3NO — CID 130731385

IUPAC(1S)-2-methoxy-1-(2,4,6-trifluorophenyl)ethanamine
SMILESCOC[C@@H](N)c1c(F)cc(F)cc1F
InChIInChI=1S/C9H10F3NO/c1-14-4-8(13)9-6(11)2-5(10)3-7(9)12/h2-3,8H,4,13H2,1H3/t8-/m1/s1
InChIKeyZNYGDXUJYCUIDN-MRVPVSSYSA-N
MW205.18 g/mol
LogP1.75
Rot. Bonds3

About (1S)-2-methoxy-1-(2,4,6-trifluorophenyl)ethanamine

(1S)-2-methoxy-1-(2,4,6-trifluorophenyl)ethanamine (PubChem CID 130731385) has the molecular formula C9H10F3NO and a molecular weight of 205.18 g/mol. Its IUPAC name is (1S)-2-methoxy-1-(2,4,6-trifluorophenyl)ethanamine.

Molecular Properties

Compound Name(1S)-2-methoxy-1-(2,4,6-trifluorophenyl)ethanamine
PubChem CID130731385
Molecular FormulaC9H10F3NO
Molecular Weight205.18 g/mol
Exact Mass205.07
IUPAC Name(1S)-2-methoxy-1-(2,4,6-trifluorophenyl)ethanamine
SMILESCOC[C@@H](N)c1c(F)cc(F)cc1F
InChIInChI=1S/C9H10F3NO/c1-14-4-8(13)9-6(11)2-5(10)3-7(9)12/h2-3,8H,4,13H2,1H3/t8-/m1/s1
InChIKeyZNYGDXUJYCUIDN-MRVPVSSYSA-N
XLogP1.75
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.18
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (1S)-2-methoxy-1-(2,4,6-trifluorophenyl)ethanamine 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)-2-methoxy-1-(2,4,6-trifluorophenyl)ethanamine
CID 131142487
1-(2-fluoro-4,6-dimethylphenyl)-2-methoxyethanamine
CID 106881398
(1R)-1-(3,5-difluorophenyl)-2-methoxyethanamine
CID 55272435
(1R)-1-(2,4,6-trifluorophenyl)propan-1-amine;hydrochloride
CID 171204882
(1S)-3-methyl-1-(2,4,6-trifluorophenyl)butan-1-amine
CID 28501623
2-(3-fluoro-4-methoxyphenyl)-1-(2,4,6-trifluorophenyl)ethanamine
CID 115829866
(2S)-2-amino-2-(2,4,6-trifluorophenyl)ethanol;hydrochloride
CID 171204906
(1R)-1-(2,4,6-trifluorophenyl)butane-1,4-diamine
CID 171204878
4-[(1S)-1-amino-2-methoxyethyl]-2,6-difluoroaniline
CID 131118509
2-methoxy-1-[5-(2,4,6-trifluorophenyl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 104633749
(1S)-1-(2,4,6-trifluorophenyl)hexan-1-amine;hydrochloride
CID 171224460
1-(5-fluoro-1-benzofuran-2-yl)-2-methoxyethanamine
CID 114728098

Frequently Asked Questions

What is the IUPAC name of (1S)-2-methoxy-1-(2,4,6-trifluorophenyl)ethanamine?
The IUPAC name of (1S)-2-methoxy-1-(2,4,6-trifluorophenyl)ethanamine (CID 130731385) is (1S)-2-methoxy-1-(2,4,6-trifluorophenyl)ethanamine.
What is the SMILES notation for (1S)-2-methoxy-1-(2,4,6-trifluorophenyl)ethanamine?
The canonical SMILES for (1S)-2-methoxy-1-(2,4,6-trifluorophenyl)ethanamine is COC[C@@H](N)c1c(F)cc(F)cc1F.
What is the InChIKey of (1S)-2-methoxy-1-(2,4,6-trifluorophenyl)ethanamine?
The InChIKey is ZNYGDXUJYCUIDN-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H10F3NO/c1-14-4-8(13)9-6(11)2-5(10)3-7(9)12/h2-3,8H,4,13H2,1H3/t8-/m1/s1.
What are the key properties of (1S)-2-methoxy-1-(2,4,6-trifluorophenyl)ethanamine?
(1S)-2-methoxy-1-(2,4,6-trifluorophenyl)ethanamine has a molecular weight of 205.18 g/mol, XLogP of 1.75, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-2-methoxy-1-(2,4,6-trifluorophenyl)ethanamine is sourced from PubChem (CID 130731385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).