(1S)-1-[4-(Trifluoromethyl)phenyl]ethylamine

C9H10F3N — CID 2779052

IUPAC(1S)-1-[4-(trifluoromethyl)phenyl]ethanamine
SMILESC[C@@H](C1=CC=C(C=C1)C(F)(F)F)N
InChIInChI=1S/C9H10F3N/c1-6(13)7-2-4-8(5-3-7)9(10,11)12/h2-6H,13H2,1H3/t6-/m0/s1
InChIKeyGUMZDWPMXGQNBG-LURJTMIESA-N
MW189.18 g/mol
LogP2.10
Rot. Bonds1

About (1S)-1-[4-(Trifluoromethyl)phenyl]ethylamine

(1S)-1-[4-(Trifluoromethyl)phenyl]ethylamine (PubChem CID 2779052) has the molecular formula C9H10F3N and a molecular weight of 189.18 g/mol. Its IUPAC name is (1S)-1-[4-(trifluoromethyl)phenyl]ethanamine.

Molecular Properties

Compound Name(1S)-1-[4-(Trifluoromethyl)phenyl]ethylamine
PubChem CID2779052
Molecular FormulaC9H10F3N
Molecular Weight189.18 g/mol
Exact Mass189.08
IUPAC Name(1S)-1-[4-(trifluoromethyl)phenyl]ethanamine
SMILESC[C@@H](C1=CC=C(C=C1)C(F)(F)F)N
InChIInChI=1S/C9H10F3N/c1-6(13)7-2-4-8(5-3-7)9(10,11)12/h2-6H,13H2,1H3/t6-/m0/s1
InChIKeyGUMZDWPMXGQNBG-LURJTMIESA-N
XLogP2.10
TPSA26.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity159

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.18
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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1-Phenethylamine, (-)-
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Frequently Asked Questions

What is the IUPAC name of (1S)-1-[4-(Trifluoromethyl)phenyl]ethylamine?
The IUPAC name of (1S)-1-[4-(Trifluoromethyl)phenyl]ethylamine (CID 2779052) is (1S)-1-[4-(trifluoromethyl)phenyl]ethanamine.
What is the SMILES notation for (1S)-1-[4-(Trifluoromethyl)phenyl]ethylamine?
The canonical SMILES for (1S)-1-[4-(Trifluoromethyl)phenyl]ethylamine is C[C@@H](C1=CC=C(C=C1)C(F)(F)F)N.
What is the InChIKey of (1S)-1-[4-(Trifluoromethyl)phenyl]ethylamine?
The InChIKey is GUMZDWPMXGQNBG-LURJTMIESA-N. The full InChI is InChI=1S/C9H10F3N/c1-6(13)7-2-4-8(5-3-7)9(10,11)12/h2-6H,13H2,1H3/t6-/m0/s1.
What are the key properties of (1S)-1-[4-(Trifluoromethyl)phenyl]ethylamine?
(1S)-1-[4-(Trifluoromethyl)phenyl]ethylamine has a molecular weight of 189.18 g/mol, XLogP of 2.10, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[4-(Trifluoromethyl)phenyl]ethylamine is sourced from PubChem (CID 2779052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).