4,4,4-trifluoro-3-(2-methoxy-4-methylphenoxy)butan-1-amine

C12H16F3NO2 — CID 43753296

IUPAC4,4,4-trifluoro-3-(2-methoxy-4-methylphenoxy)butan-1-amine
SMILESCOc1cc(C)ccc1OC(CCN)C(F)(F)F
InChIInChI=1S/C12H16F3NO2/c1-8-3-4-9(10(7-8)17-2)18-11(5-6-16)12(13,14)15/h3-4,7,11H,5-6,16H2,1-2H3
InChIKeyLYTSVLPCUOOORX-UHFFFAOYSA-N
MW263.26 g/mol
LogP2.66
Rot. Bonds5

About 4,4,4-trifluoro-3-(2-methoxy-4-methylphenoxy)butan-1-amine

4,4,4-trifluoro-3-(2-methoxy-4-methylphenoxy)butan-1-amine (PubChem CID 43753296) has the molecular formula C12H16F3NO2 and a molecular weight of 263.26 g/mol. Its IUPAC name is 4,4,4-trifluoro-3-(2-methoxy-4-methylphenoxy)butan-1-amine.

Molecular Properties

Compound Name4,4,4-trifluoro-3-(2-methoxy-4-methylphenoxy)butan-1-amine
PubChem CID43753296
Molecular FormulaC12H16F3NO2
Molecular Weight263.26 g/mol
Exact Mass263.11
IUPAC Name4,4,4-trifluoro-3-(2-methoxy-4-methylphenoxy)butan-1-amine
SMILESCOc1cc(C)ccc1OC(CCN)C(F)(F)F
InChIInChI=1S/C12H16F3NO2/c1-8-3-4-9(10(7-8)17-2)18-11(5-6-16)12(13,14)15/h3-4,7,11H,5-6,16H2,1-2H3
InChIKeyLYTSVLPCUOOORX-UHFFFAOYSA-N
XLogP2.66
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 ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4,4,4-trifluoro-3-(2-methoxy-4-methylphenoxy)butan-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

3,3,3-trifluoro-2-(2-methoxy-4-methylphenoxy)propan-1-amine
CID 43752910
3-(4-tert-butyl-2-methylphenoxy)-4,4,4-trifluorobutan-1-amine
CID 43753347
2-(2-tert-butyl-5-methylphenoxy)-3,3,3-trifluoropropan-1-amine
CID 43752972
3-(2-ethylphenoxy)-4,4,4-trifluorobutan-1-amine
CID 43753350
4-(2-methoxy-4-methylphenoxy)pentan-2-amine
CID 64708300
3-(2-methoxy-5-methylphenyl)sulfanylbutan-1-amine
CID 117032659
2-(2-methoxy-4-methylphenoxy)-2-phenylethanamine
CID 55017730
3-amino-2-(2-methoxy-4-methylphenoxy)propanoic acid
CID 64694661
O-(2-methoxy-4-methylphenyl)hydroxylamine
CID 56611281
(2-methoxy-4-methylphenyl) 3-aminopropanoate
CID 94256158
3-amino-1,1,1-trifluoro-2-(2-methoxy-4-methylphenyl)propan-2-ol
CID 83919722
2-(2-methoxy-4-methylphenoxy)-N-propylpentan-1-amine
CID 83046472

Frequently Asked Questions

What is the IUPAC name of 4,4,4-trifluoro-3-(2-methoxy-4-methylphenoxy)butan-1-amine?
The IUPAC name of 4,4,4-trifluoro-3-(2-methoxy-4-methylphenoxy)butan-1-amine (CID 43753296) is 4,4,4-trifluoro-3-(2-methoxy-4-methylphenoxy)butan-1-amine.
What is the SMILES notation for 4,4,4-trifluoro-3-(2-methoxy-4-methylphenoxy)butan-1-amine?
The canonical SMILES for 4,4,4-trifluoro-3-(2-methoxy-4-methylphenoxy)butan-1-amine is COc1cc(C)ccc1OC(CCN)C(F)(F)F.
What is the InChIKey of 4,4,4-trifluoro-3-(2-methoxy-4-methylphenoxy)butan-1-amine?
The InChIKey is LYTSVLPCUOOORX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3NO2/c1-8-3-4-9(10(7-8)17-2)18-11(5-6-16)12(13,14)15/h3-4,7,11H,5-6,16H2,1-2H3.
What are the key properties of 4,4,4-trifluoro-3-(2-methoxy-4-methylphenoxy)butan-1-amine?
4,4,4-trifluoro-3-(2-methoxy-4-methylphenoxy)butan-1-amine has a molecular weight of 263.26 g/mol, XLogP of 2.66, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4-trifluoro-3-(2-methoxy-4-methylphenoxy)butan-1-amine is sourced from PubChem (CID 43753296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).