3-methyl-4-[[2-(trifluoromethyl)cyclohexyl]amino]phenol

C14H18F3NO — CID 64759514

IUPAC3-methyl-4-[[2-(trifluoromethyl)cyclohexyl]amino]phenol
SMILESCc1cc(O)ccc1NC1CCCCC1C(F)(F)F
InChIInChI=1S/C14H18F3NO/c1-9-8-10(19)6-7-12(9)18-13-5-3-2-4-11(13)14(15,16)17/h6-8,11,13,18-19H,2-5H2,1H3
InChIKeyYDJDMXXJQIYGNG-UHFFFAOYSA-N
MW273.30 g/mol
LogP4.23
Rot. Bonds2

About 3-methyl-4-[[2-(trifluoromethyl)cyclohexyl]amino]phenol

3-methyl-4-[[2-(trifluoromethyl)cyclohexyl]amino]phenol (PubChem CID 64759514) has the molecular formula C14H18F3NO and a molecular weight of 273.30 g/mol. Its IUPAC name is 3-methyl-4-[[2-(trifluoromethyl)cyclohexyl]amino]phenol.

Molecular Properties

Compound Name3-methyl-4-[[2-(trifluoromethyl)cyclohexyl]amino]phenol
PubChem CID64759514
Molecular FormulaC14H18F3NO
Molecular Weight273.30 g/mol
Exact Mass273.13
IUPAC Name3-methyl-4-[[2-(trifluoromethyl)cyclohexyl]amino]phenol
SMILESCc1cc(O)ccc1NC1CCCCC1C(F)(F)F
InChIInChI=1S/C14H18F3NO/c1-9-8-10(19)6-7-12(9)18-13-5-3-2-4-11(13)14(15,16)17/h6-8,11,13,18-19H,2-5H2,1H3
InChIKeyYDJDMXXJQIYGNG-UHFFFAOYSA-N
XLogP4.23
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.30
LogP ≤ 54.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-[[2-(trifluoromethyl)cyclohexyl]amino]phenol?
The IUPAC name of 3-methyl-4-[[2-(trifluoromethyl)cyclohexyl]amino]phenol (CID 64759514) is 3-methyl-4-[[2-(trifluoromethyl)cyclohexyl]amino]phenol.
What is the SMILES notation for 3-methyl-4-[[2-(trifluoromethyl)cyclohexyl]amino]phenol?
The canonical SMILES for 3-methyl-4-[[2-(trifluoromethyl)cyclohexyl]amino]phenol is Cc1cc(O)ccc1NC1CCCCC1C(F)(F)F.
What is the InChIKey of 3-methyl-4-[[2-(trifluoromethyl)cyclohexyl]amino]phenol?
The InChIKey is YDJDMXXJQIYGNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3NO/c1-9-8-10(19)6-7-12(9)18-13-5-3-2-4-11(13)14(15,16)17/h6-8,11,13,18-19H,2-5H2,1H3.
What are the key properties of 3-methyl-4-[[2-(trifluoromethyl)cyclohexyl]amino]phenol?
3-methyl-4-[[2-(trifluoromethyl)cyclohexyl]amino]phenol has a molecular weight of 273.30 g/mol, XLogP of 4.23, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-[[2-(trifluoromethyl)cyclohexyl]amino]phenol is sourced from PubChem (CID 64759514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).