1-[3-(2,2,2-trifluoro-1-methoxyethyl)phenyl]cyclopropan-1-amine

C12H14F3NO — CID 84737315

IUPAC1-[3-(2,2,2-trifluoro-1-methoxyethyl)phenyl]cyclopropan-1-amine
SMILESCOC(c1cccc(C2(N)CC2)c1)C(F)(F)F
InChIInChI=1S/C12H14F3NO/c1-17-10(12(13,14)15)8-3-2-4-9(7-8)11(16)5-6-11/h2-4,7,10H,5-6,16H2,1H3
InChIKeyDBTUUBWLPQNCPE-UHFFFAOYSA-N
MW245.24 g/mol
LogP2.88
Rot. Bonds3

About 1-[3-(2,2,2-trifluoro-1-methoxyethyl)phenyl]cyclopropan-1-amine

1-[3-(2,2,2-trifluoro-1-methoxyethyl)phenyl]cyclopropan-1-amine (PubChem CID 84737315) has the molecular formula C12H14F3NO and a molecular weight of 245.24 g/mol. Its IUPAC name is 1-[3-(2,2,2-trifluoro-1-methoxyethyl)phenyl]cyclopropan-1-amine.

Molecular Properties

Compound Name1-[3-(2,2,2-trifluoro-1-methoxyethyl)phenyl]cyclopropan-1-amine
PubChem CID84737315
Molecular FormulaC12H14F3NO
Molecular Weight245.24 g/mol
Exact Mass245.10
IUPAC Name1-[3-(2,2,2-trifluoro-1-methoxyethyl)phenyl]cyclopropan-1-amine
SMILESCOC(c1cccc(C2(N)CC2)c1)C(F)(F)F
InChIInChI=1S/C12H14F3NO/c1-17-10(12(13,14)15)8-3-2-4-9(7-8)11(16)5-6-11/h2-4,7,10H,5-6,16H2,1H3
InChIKeyDBTUUBWLPQNCPE-UHFFFAOYSA-N
XLogP2.88
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.24
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[3-(2,2,2-trifluoro-1-methoxyethyl)phenyl]cyclopropan-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

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2,2,2-trifluoro-1-methoxyethyl)phenyl]cyclopropan-1-amine?
The IUPAC name of 1-[3-(2,2,2-trifluoro-1-methoxyethyl)phenyl]cyclopropan-1-amine (CID 84737315) is 1-[3-(2,2,2-trifluoro-1-methoxyethyl)phenyl]cyclopropan-1-amine.
What is the SMILES notation for 1-[3-(2,2,2-trifluoro-1-methoxyethyl)phenyl]cyclopropan-1-amine?
The canonical SMILES for 1-[3-(2,2,2-trifluoro-1-methoxyethyl)phenyl]cyclopropan-1-amine is COC(c1cccc(C2(N)CC2)c1)C(F)(F)F.
What is the InChIKey of 1-[3-(2,2,2-trifluoro-1-methoxyethyl)phenyl]cyclopropan-1-amine?
The InChIKey is DBTUUBWLPQNCPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3NO/c1-17-10(12(13,14)15)8-3-2-4-9(7-8)11(16)5-6-11/h2-4,7,10H,5-6,16H2,1H3.
What are the key properties of 1-[3-(2,2,2-trifluoro-1-methoxyethyl)phenyl]cyclopropan-1-amine?
1-[3-(2,2,2-trifluoro-1-methoxyethyl)phenyl]cyclopropan-1-amine has a molecular weight of 245.24 g/mol, XLogP of 2.88, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2,2,2-trifluoro-1-methoxyethyl)phenyl]cyclopropan-1-amine is sourced from PubChem (CID 84737315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).