2-methyl-1-(2,3,6-trifluoro-5-methoxyphenyl)propan-2-amine

C11H14F3NO — CID 117337721

IUPAC2-methyl-1-(2,3,6-trifluoro-5-methoxyphenyl)propan-2-amine
SMILESCOc1cc(F)c(F)c(CC(C)(C)N)c1F
InChIInChI=1S/C11H14F3NO/c1-11(2,15)5-6-9(13)7(12)4-8(16-3)10(6)14/h4H,5,15H2,1-3H3
InChIKeyZZKVNHKTAZODMG-UHFFFAOYSA-N
MW233.23 g/mol
LogP2.39
Rot. Bonds3

About 2-methyl-1-(2,3,6-trifluoro-5-methoxyphenyl)propan-2-amine

2-methyl-1-(2,3,6-trifluoro-5-methoxyphenyl)propan-2-amine (PubChem CID 117337721) has the molecular formula C11H14F3NO and a molecular weight of 233.23 g/mol. Its IUPAC name is 2-methyl-1-(2,3,6-trifluoro-5-methoxyphenyl)propan-2-amine.

Molecular Properties

Compound Name2-methyl-1-(2,3,6-trifluoro-5-methoxyphenyl)propan-2-amine
PubChem CID117337721
Molecular FormulaC11H14F3NO
Molecular Weight233.23 g/mol
Exact Mass233.10
IUPAC Name2-methyl-1-(2,3,6-trifluoro-5-methoxyphenyl)propan-2-amine
SMILESCOc1cc(F)c(F)c(CC(C)(C)N)c1F
InChIInChI=1S/C11H14F3NO/c1-11(2,15)5-6-9(13)7(12)4-8(16-3)10(6)14/h4H,5,15H2,1-3H3
InChIKeyZZKVNHKTAZODMG-UHFFFAOYSA-N
XLogP2.39
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.23
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Analyze 2-methyl-1-(2,3,6-trifluoro-5-methoxyphenyl)propan-2-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

(2,3,6-trifluoro-5-methoxyphenyl)methanamine
CID 117282112
1-(2,5-difluoro-4-methoxyphenyl)-2-methylpropan-2-amine
CID 82648003
1-(3-fluoro-2,6-dimethoxyphenyl)-2-methylpropan-2-amine
CID 117327192
1-[4-fluoro-2-methoxy-6-(methoxymethyl)phenyl]-2-methylpropan-2-amine
CID 117355423
1-(4-chloro-3-fluoro-5-methoxyphenyl)-2-methylpropan-2-amine
CID 117335601
2-methyl-1-(2,3,5-trifluorophenyl)propan-2-amine
CID 117112050
1-(4-bromo-2-fluoro-5-methoxyphenyl)-2-methylpropan-2-amine
CID 84810981
1-(2-chloro-6-fluoro-4-methoxyphenyl)-2-methylpropan-2-amine
CID 84795134
1-(2-methoxy-4,6-dimethylphenyl)-2-methylpropan-2-amine
CID 82470482
1,2,4-trifluoro-3,5-dimethoxybenzene
CID 10535733
1-(3-bromo-2-fluoro-4,5-dimethoxyphenyl)-2-methylpropan-2-amine
CID 117491337
1-(3-chloro-2-fluoro-6-methoxy-5-methylphenyl)-2-methylpropan-2-amine
CID 117366838

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(2,3,6-trifluoro-5-methoxyphenyl)propan-2-amine?
The IUPAC name of 2-methyl-1-(2,3,6-trifluoro-5-methoxyphenyl)propan-2-amine (CID 117337721) is 2-methyl-1-(2,3,6-trifluoro-5-methoxyphenyl)propan-2-amine.
What is the SMILES notation for 2-methyl-1-(2,3,6-trifluoro-5-methoxyphenyl)propan-2-amine?
The canonical SMILES for 2-methyl-1-(2,3,6-trifluoro-5-methoxyphenyl)propan-2-amine is COc1cc(F)c(F)c(CC(C)(C)N)c1F.
What is the InChIKey of 2-methyl-1-(2,3,6-trifluoro-5-methoxyphenyl)propan-2-amine?
The InChIKey is ZZKVNHKTAZODMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3NO/c1-11(2,15)5-6-9(13)7(12)4-8(16-3)10(6)14/h4H,5,15H2,1-3H3.
What are the key properties of 2-methyl-1-(2,3,6-trifluoro-5-methoxyphenyl)propan-2-amine?
2-methyl-1-(2,3,6-trifluoro-5-methoxyphenyl)propan-2-amine has a molecular weight of 233.23 g/mol, XLogP of 2.39, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(2,3,6-trifluoro-5-methoxyphenyl)propan-2-amine is sourced from PubChem (CID 117337721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).