(1S)-2-methoxy-1-[4-(trifluoromethyl)phenyl]ethanamine

C10H12F3NO — CID 28795276

IUPAC(1S)-2-methoxy-1-[4-(trifluoromethyl)phenyl]ethanamine
SMILESCOC[C@@H](N)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C10H12F3NO/c1-15-6-9(14)7-2-4-8(5-3-7)10(11,12)13/h2-5,9H,6,14H2,1H3/t9-/m1/s1
InChIKeyROHHPXSZRZTEOZ-SECBINFHSA-N
MW219.21 g/mol
LogP2.35
Rot. Bonds3

About (1S)-2-methoxy-1-[4-(trifluoromethyl)phenyl]ethanamine

(1S)-2-methoxy-1-[4-(trifluoromethyl)phenyl]ethanamine (PubChem CID 28795276) has the molecular formula C10H12F3NO and a molecular weight of 219.21 g/mol. Its IUPAC name is (1S)-2-methoxy-1-[4-(trifluoromethyl)phenyl]ethanamine.

Molecular Properties

Compound Name(1S)-2-methoxy-1-[4-(trifluoromethyl)phenyl]ethanamine
PubChem CID28795276
Molecular FormulaC10H12F3NO
Molecular Weight219.21 g/mol
Exact Mass219.09
IUPAC Name(1S)-2-methoxy-1-[4-(trifluoromethyl)phenyl]ethanamine
SMILESCOC[C@@H](N)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C10H12F3NO/c1-15-6-9(14)7-2-4-8(5-3-7)10(11,12)13/h2-5,9H,6,14H2,1H3/t9-/m1/s1
InChIKeyROHHPXSZRZTEOZ-SECBINFHSA-N
XLogP2.35
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.21
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1S)-2-methoxy-1-[4-(trifluoromethyl)phenyl]ethanamine?
The IUPAC name of (1S)-2-methoxy-1-[4-(trifluoromethyl)phenyl]ethanamine (CID 28795276) is (1S)-2-methoxy-1-[4-(trifluoromethyl)phenyl]ethanamine.
What is the SMILES notation for (1S)-2-methoxy-1-[4-(trifluoromethyl)phenyl]ethanamine?
The canonical SMILES for (1S)-2-methoxy-1-[4-(trifluoromethyl)phenyl]ethanamine is COC[C@@H](N)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of (1S)-2-methoxy-1-[4-(trifluoromethyl)phenyl]ethanamine?
The InChIKey is ROHHPXSZRZTEOZ-SECBINFHSA-N. The full InChI is InChI=1S/C10H12F3NO/c1-15-6-9(14)7-2-4-8(5-3-7)10(11,12)13/h2-5,9H,6,14H2,1H3/t9-/m1/s1.
What are the key properties of (1S)-2-methoxy-1-[4-(trifluoromethyl)phenyl]ethanamine?
(1S)-2-methoxy-1-[4-(trifluoromethyl)phenyl]ethanamine has a molecular weight of 219.21 g/mol, XLogP of 2.35, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-2-methoxy-1-[4-(trifluoromethyl)phenyl]ethanamine is sourced from PubChem (CID 28795276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).