2-methyl-1-(2,3,5-trifluorophenyl)propan-2-amine

C10H12F3N — CID 117112050

IUPAC2-methyl-1-(2,3,5-trifluorophenyl)propan-2-amine
SMILESCC(C)(N)Cc1cc(F)cc(F)c1F
InChIInChI=1S/C10H12F3N/c1-10(2,14)5-6-3-7(11)4-8(12)9(6)13/h3-4H,5,14H2,1-2H3
InChIKeyJSCJAEDSFRNVFG-UHFFFAOYSA-N
MW203.21 g/mol
LogP2.38
Rot. Bonds2

About 2-methyl-1-(2,3,5-trifluorophenyl)propan-2-amine

2-methyl-1-(2,3,5-trifluorophenyl)propan-2-amine (PubChem CID 117112050) has the molecular formula C10H12F3N and a molecular weight of 203.21 g/mol. Its IUPAC name is 2-methyl-1-(2,3,5-trifluorophenyl)propan-2-amine.

Molecular Properties

Compound Name2-methyl-1-(2,3,5-trifluorophenyl)propan-2-amine
PubChem CID117112050
Molecular FormulaC10H12F3N
Molecular Weight203.21 g/mol
Exact Mass203.09
IUPAC Name2-methyl-1-(2,3,5-trifluorophenyl)propan-2-amine
SMILESCC(C)(N)Cc1cc(F)cc(F)c1F
InChIInChI=1S/C10H12F3N/c1-10(2,14)5-6-3-7(11)4-8(12)9(6)13/h3-4H,5,14H2,1-2H3
InChIKeyJSCJAEDSFRNVFG-UHFFFAOYSA-N
XLogP2.38
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.21
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(2-chloro-3,5-difluorophenyl)-2-methylpropan-2-amine
CID 117313615
1-(3-bromo-5-fluoro-2-methylphenyl)-2-methylpropan-2-amine
CID 117404058
1-(3,5-difluorophenyl)-2-methylpropan-2-amine
CID 22063501
2-(2-amino-2-methylpropyl)-6-bromo-4-fluorophenol
CID 84807013
6-(2-amino-2-methylpropyl)-2-bromo-3,4-difluorophenol
CID 84811709
2-(2-amino-2-methylpropyl)-4-fluoro-5-methylphenol
CID 117287292
1-(2-ethyl-5-fluorophenyl)-2-methylpropan-2-amine
CID 84773708
1-(2,5-difluoro-4-methoxyphenyl)-2-methylpropan-2-amine
CID 82648003
(2,3,5-trifluorophenyl)methanethiol
CID 118589493
2-methyl-1-(2,3,6-trifluoro-5-methoxyphenyl)propan-2-amine
CID 117337721
1-(4-fluoro-2-methylphenyl)-2-methylpropan-2-amine
CID 22063499
1-(3-bromo-2-fluoro-4,5-dimethoxyphenyl)-2-methylpropan-2-amine
CID 117491337

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(2,3,5-trifluorophenyl)propan-2-amine?
The IUPAC name of 2-methyl-1-(2,3,5-trifluorophenyl)propan-2-amine (CID 117112050) is 2-methyl-1-(2,3,5-trifluorophenyl)propan-2-amine.
What is the SMILES notation for 2-methyl-1-(2,3,5-trifluorophenyl)propan-2-amine?
The canonical SMILES for 2-methyl-1-(2,3,5-trifluorophenyl)propan-2-amine is CC(C)(N)Cc1cc(F)cc(F)c1F.
What is the InChIKey of 2-methyl-1-(2,3,5-trifluorophenyl)propan-2-amine?
The InChIKey is JSCJAEDSFRNVFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3N/c1-10(2,14)5-6-3-7(11)4-8(12)9(6)13/h3-4H,5,14H2,1-2H3.
What are the key properties of 2-methyl-1-(2,3,5-trifluorophenyl)propan-2-amine?
2-methyl-1-(2,3,5-trifluorophenyl)propan-2-amine has a molecular weight of 203.21 g/mol, XLogP of 2.38, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(2,3,5-trifluorophenyl)propan-2-amine is sourced from PubChem (CID 117112050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).