(1R)-1-(2,6-dimethoxyphenyl)-4,4,4-trifluorobutan-1-amine

C12H16F3NO2 — CID 171201179

IUPAC(1R)-1-(2,6-dimethoxyphenyl)-4,4,4-trifluorobutan-1-amine
SMILESCOc1cccc(OC)c1[C@H](N)CCC(F)(F)F
InChIInChI=1S/C12H16F3NO2/c1-17-9-4-3-5-10(18-2)11(9)8(16)6-7-12(13,14)15/h3-5,8H,6-7,16H2,1-2H3/t8-/m1/s1
InChIKeyXUONUGABUSOXRJ-MRVPVSSYSA-N
MW263.26 g/mol
LogP3.05
Rot. Bonds5

About (1R)-1-(2,6-dimethoxyphenyl)-4,4,4-trifluorobutan-1-amine

(1R)-1-(2,6-dimethoxyphenyl)-4,4,4-trifluorobutan-1-amine (PubChem CID 171201179) has the molecular formula C12H16F3NO2 and a molecular weight of 263.26 g/mol. Its IUPAC name is (1R)-1-(2,6-dimethoxyphenyl)-4,4,4-trifluorobutan-1-amine.

Molecular Properties

Compound Name(1R)-1-(2,6-dimethoxyphenyl)-4,4,4-trifluorobutan-1-amine
PubChem CID171201179
Molecular FormulaC12H16F3NO2
Molecular Weight263.26 g/mol
Exact Mass263.11
IUPAC Name(1R)-1-(2,6-dimethoxyphenyl)-4,4,4-trifluorobutan-1-amine
SMILESCOc1cccc(OC)c1[C@H](N)CCC(F)(F)F
InChIInChI=1S/C12H16F3NO2/c1-17-9-4-3-5-10(18-2)11(9)8(16)6-7-12(13,14)15/h3-5,8H,6-7,16H2,1-2H3/t8-/m1/s1
InChIKeyXUONUGABUSOXRJ-MRVPVSSYSA-N
XLogP3.05
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.26
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (1R)-1-(2,6-dimethoxyphenyl)-4,4,4-trifluorobutan-1-amine 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

(1S)-1-(2,6-dimethoxyphenyl)-3-fluoropropan-1-amine
CID 171220717
(1R)-4,4,4-trifluoro-1-(2-methoxyphenyl)butan-1-amine
CID 171200452
(1S)-4,4,4-trifluoro-1-(2-methoxyphenyl)butan-1-amine
CID 171219989
(1R)-4,4,4-trifluoro-1-(2-methoxynaphthalen-1-yl)butan-1-amine
CID 171212939
4-[(1R)-1-amino-4,4,4-trifluorobutyl]-3,5-dimethoxyphenol
CID 171202401
4-[(1S)-1-amino-4,4,4-trifluorobutyl]-3,5-dimethoxyphenol
CID 171221953
(3R)-3-amino-3-(2,6-dimethoxyphenyl)propan-1-ol;hydrochloride
CID 171201207
(1S)-1-(2-fluoro-6-methoxyphenyl)propane-1,3-diamine
CID 171230221
1-(2,6-dimethoxyphenyl)ethane-1,2-diamine
CID 22756535
(1S)-1-(2,6-dimethoxyphenyl)ethane-1,2-diamine;hydrochloride
CID 171201155
(1R)-1-(2,6-dimethoxyphenyl)propan-1-amine;hydrochloride
CID 171201163
(1R)-1-(2,6-dimethoxyphenyl)-3-methylbutan-1-amine
CID 171201173

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(2,6-dimethoxyphenyl)-4,4,4-trifluorobutan-1-amine?
The IUPAC name of (1R)-1-(2,6-dimethoxyphenyl)-4,4,4-trifluorobutan-1-amine (CID 171201179) is (1R)-1-(2,6-dimethoxyphenyl)-4,4,4-trifluorobutan-1-amine.
What is the SMILES notation for (1R)-1-(2,6-dimethoxyphenyl)-4,4,4-trifluorobutan-1-amine?
The canonical SMILES for (1R)-1-(2,6-dimethoxyphenyl)-4,4,4-trifluorobutan-1-amine is COc1cccc(OC)c1[C@H](N)CCC(F)(F)F.
What is the InChIKey of (1R)-1-(2,6-dimethoxyphenyl)-4,4,4-trifluorobutan-1-amine?
The InChIKey is XUONUGABUSOXRJ-MRVPVSSYSA-N. The full InChI is InChI=1S/C12H16F3NO2/c1-17-9-4-3-5-10(18-2)11(9)8(16)6-7-12(13,14)15/h3-5,8H,6-7,16H2,1-2H3/t8-/m1/s1.
What are the key properties of (1R)-1-(2,6-dimethoxyphenyl)-4,4,4-trifluorobutan-1-amine?
(1R)-1-(2,6-dimethoxyphenyl)-4,4,4-trifluorobutan-1-amine has a molecular weight of 263.26 g/mol, XLogP of 3.05, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(2,6-dimethoxyphenyl)-4,4,4-trifluorobutan-1-amine is sourced from PubChem (CID 171201179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).