[3-[2-(aminomethyl)-5-(trifluoromethyl)phenyl]phenyl]methanol

C15H14F3NO — CID 135353908

IUPAC[3-[2-(aminomethyl)-5-(trifluoromethyl)phenyl]phenyl]methanol
SMILESNCc1ccc(C(F)(F)F)cc1-c1cccc(CO)c1
InChIInChI=1S/C15H14F3NO/c16-15(17,18)13-5-4-12(8-19)14(7-13)11-3-1-2-10(6-11)9-20/h1-7,20H,8-9,19H2
InChIKeyGDVWMDGTSOTHCD-UHFFFAOYSA-N
MW281.28 g/mol
LogP3.32
Rot. Bonds3

About [3-[2-(aminomethyl)-5-(trifluoromethyl)phenyl]phenyl]methanol

[3-[2-(aminomethyl)-5-(trifluoromethyl)phenyl]phenyl]methanol (PubChem CID 135353908) has the molecular formula C15H14F3NO and a molecular weight of 281.28 g/mol. Its IUPAC name is [3-[2-(aminomethyl)-5-(trifluoromethyl)phenyl]phenyl]methanol.

Molecular Properties

Compound Name[3-[2-(aminomethyl)-5-(trifluoromethyl)phenyl]phenyl]methanol
PubChem CID135353908
Molecular FormulaC15H14F3NO
Molecular Weight281.28 g/mol
Exact Mass281.10
IUPAC Name[3-[2-(aminomethyl)-5-(trifluoromethyl)phenyl]phenyl]methanol
SMILESNCc1ccc(C(F)(F)F)cc1-c1cccc(CO)c1
InChIInChI=1S/C15H14F3NO/c16-15(17,18)13-5-4-12(8-19)14(7-13)11-3-1-2-10(6-11)9-20/h1-7,20H,8-9,19H2
InChIKeyGDVWMDGTSOTHCD-UHFFFAOYSA-N
XLogP3.32
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.28
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [3-[2-(aminomethyl)-5-(trifluoromethyl)phenyl]phenyl]methanol?
The IUPAC name of [3-[2-(aminomethyl)-5-(trifluoromethyl)phenyl]phenyl]methanol (CID 135353908) is [3-[2-(aminomethyl)-5-(trifluoromethyl)phenyl]phenyl]methanol.
What is the SMILES notation for [3-[2-(aminomethyl)-5-(trifluoromethyl)phenyl]phenyl]methanol?
The canonical SMILES for [3-[2-(aminomethyl)-5-(trifluoromethyl)phenyl]phenyl]methanol is NCc1ccc(C(F)(F)F)cc1-c1cccc(CO)c1.
What is the InChIKey of [3-[2-(aminomethyl)-5-(trifluoromethyl)phenyl]phenyl]methanol?
The InChIKey is GDVWMDGTSOTHCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3NO/c16-15(17,18)13-5-4-12(8-19)14(7-13)11-3-1-2-10(6-11)9-20/h1-7,20H,8-9,19H2.
What are the key properties of [3-[2-(aminomethyl)-5-(trifluoromethyl)phenyl]phenyl]methanol?
[3-[2-(aminomethyl)-5-(trifluoromethyl)phenyl]phenyl]methanol has a molecular weight of 281.28 g/mol, XLogP of 3.32, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[2-(aminomethyl)-5-(trifluoromethyl)phenyl]phenyl]methanol is sourced from PubChem (CID 135353908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).