2-cyclopropyl-1-(2,3,4-trifluorophenyl)ethanamine

C11H12F3N — CID 79016147

IUPAC2-cyclopropyl-1-(2,3,4-trifluorophenyl)ethanamine
SMILESNC(CC1CC1)c1ccc(F)c(F)c1F
InChIInChI=1S/C11H12F3N/c12-8-4-3-7(10(13)11(8)14)9(15)5-6-1-2-6/h3-4,6,9H,1-2,5,15H2
InChIKeyWOAVMCJYJJLPAG-UHFFFAOYSA-N
MW215.22 g/mol
LogP2.90
Rot. Bonds3

About 2-cyclopropyl-1-(2,3,4-trifluorophenyl)ethanamine

2-cyclopropyl-1-(2,3,4-trifluorophenyl)ethanamine (PubChem CID 79016147) has the molecular formula C11H12F3N and a molecular weight of 215.22 g/mol. Its IUPAC name is 2-cyclopropyl-1-(2,3,4-trifluorophenyl)ethanamine.

Molecular Properties

Compound Name2-cyclopropyl-1-(2,3,4-trifluorophenyl)ethanamine
PubChem CID79016147
Molecular FormulaC11H12F3N
Molecular Weight215.22 g/mol
Exact Mass215.09
IUPAC Name2-cyclopropyl-1-(2,3,4-trifluorophenyl)ethanamine
SMILESNC(CC1CC1)c1ccc(F)c(F)c1F
InChIInChI=1S/C11H12F3N/c12-8-4-3-7(10(13)11(8)14)9(15)5-6-1-2-6/h3-4,6,9H,1-2,5,15H2
InChIKeyWOAVMCJYJJLPAG-UHFFFAOYSA-N
XLogP2.90
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.22
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

(1S)-2-cyclopropyl-1-(2,3-difluorophenyl)ethanamine
CID 131113466
(1R)-2-cyclopropyl-1-(2,3-difluoro-4-methylphenyl)ethanamine
CID 131568971
2-cyclohexyl-1-(2,3-difluoro-4-methylphenyl)ethanamine
CID 107515963
2-cyclopropyl-1-(2-fluoro-5-methylphenyl)ethanamine
CID 55297664
4-[(1R)-1-amino-2-cyclopropylethyl]-3-fluorophenol;hydrochloride
CID 171199182
(1R)-2-cyclopropyl-1-[2-fluoro-5-(trifluoromethyl)phenyl]ethanamine
CID 171209533
(2R)-2-amino-2-(2,3,4-trifluorophenyl)ethanol;hydrochloride
CID 171225380
cycloheptyl-(2,3,4-trifluorophenyl)methanamine
CID 65399083
(R)-cyclopentyl-(2,3,4-trifluorophenyl)methanamine;hydrochloride
CID 171205794
2-(1-amino-2-cyclopropylethyl)-6-fluorophenol
CID 55268848
(1S)-1-(4-chloro-2-methylphenyl)-2-cyclopropylethanamine
CID 131029260
(1S)-2-cyclopropyl-1-(3-fluoro-4-pyridinyl)ethanamine
CID 130679719

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-1-(2,3,4-trifluorophenyl)ethanamine?
The IUPAC name of 2-cyclopropyl-1-(2,3,4-trifluorophenyl)ethanamine (CID 79016147) is 2-cyclopropyl-1-(2,3,4-trifluorophenyl)ethanamine.
What is the SMILES notation for 2-cyclopropyl-1-(2,3,4-trifluorophenyl)ethanamine?
The canonical SMILES for 2-cyclopropyl-1-(2,3,4-trifluorophenyl)ethanamine is NC(CC1CC1)c1ccc(F)c(F)c1F.
What is the InChIKey of 2-cyclopropyl-1-(2,3,4-trifluorophenyl)ethanamine?
The InChIKey is WOAVMCJYJJLPAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3N/c12-8-4-3-7(10(13)11(8)14)9(15)5-6-1-2-6/h3-4,6,9H,1-2,5,15H2.
What are the key properties of 2-cyclopropyl-1-(2,3,4-trifluorophenyl)ethanamine?
2-cyclopropyl-1-(2,3,4-trifluorophenyl)ethanamine has a molecular weight of 215.22 g/mol, XLogP of 2.90, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-1-(2,3,4-trifluorophenyl)ethanamine is sourced from PubChem (CID 79016147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).