[2-(aminomethyl)-6-(trifluoromethyl)phenyl]methanol

C9H10F3NO — CID 134471033

IUPAC[2-(aminomethyl)-6-(trifluoromethyl)phenyl]methanol
SMILESNCc1cccc(C(F)(F)F)c1CO
InChIInChI=1S/C9H10F3NO/c10-9(11,12)8-3-1-2-6(4-13)7(8)5-14/h1-3,14H,4-5,13H2
InChIKeyNYTZLOLYTAIMFM-UHFFFAOYSA-N
MW205.18 g/mol
LogP1.66
Rot. Bonds2

About [2-(aminomethyl)-6-(trifluoromethyl)phenyl]methanol

[2-(aminomethyl)-6-(trifluoromethyl)phenyl]methanol (PubChem CID 134471033) has the molecular formula C9H10F3NO and a molecular weight of 205.18 g/mol. Its IUPAC name is [2-(aminomethyl)-6-(trifluoromethyl)phenyl]methanol.

Molecular Properties

Compound Name[2-(aminomethyl)-6-(trifluoromethyl)phenyl]methanol
PubChem CID134471033
Molecular FormulaC9H10F3NO
Molecular Weight205.18 g/mol
Exact Mass205.07
IUPAC Name[2-(aminomethyl)-6-(trifluoromethyl)phenyl]methanol
SMILESNCc1cccc(C(F)(F)F)c1CO
InChIInChI=1S/C9H10F3NO/c10-9(11,12)8-3-1-2-6(4-13)7(8)5-14/h1-3,14H,4-5,13H2
InChIKeyNYTZLOLYTAIMFM-UHFFFAOYSA-N
XLogP1.66
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.18
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [2-(aminomethyl)-6-(trifluoromethyl)phenyl]methanol?
The IUPAC name of [2-(aminomethyl)-6-(trifluoromethyl)phenyl]methanol (CID 134471033) is [2-(aminomethyl)-6-(trifluoromethyl)phenyl]methanol.
What is the SMILES notation for [2-(aminomethyl)-6-(trifluoromethyl)phenyl]methanol?
The canonical SMILES for [2-(aminomethyl)-6-(trifluoromethyl)phenyl]methanol is NCc1cccc(C(F)(F)F)c1CO.
What is the InChIKey of [2-(aminomethyl)-6-(trifluoromethyl)phenyl]methanol?
The InChIKey is NYTZLOLYTAIMFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3NO/c10-9(11,12)8-3-1-2-6(4-13)7(8)5-14/h1-3,14H,4-5,13H2.
What are the key properties of [2-(aminomethyl)-6-(trifluoromethyl)phenyl]methanol?
[2-(aminomethyl)-6-(trifluoromethyl)phenyl]methanol has a molecular weight of 205.18 g/mol, XLogP of 1.66, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(aminomethyl)-6-(trifluoromethyl)phenyl]methanol is sourced from PubChem (CID 134471033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).