4-[[methyl-(2-methylcyclohexyl)amino]methyl]-2-(trifluoromethyl)phenol

C16H22F3NO — CID 82959398

IUPAC4-[[methyl-(2-methylcyclohexyl)amino]methyl]-2-(trifluoromethyl)phenol
SMILESCC1CCCCC1N(C)Cc1ccc(O)c(C(F)(F)F)c1
InChIInChI=1S/C16H22F3NO/c1-11-5-3-4-6-14(11)20(2)10-12-7-8-15(21)13(9-12)16(17,18)19/h7-9,11,14,21H,3-6,10H2,1-2H3
InChIKeyDHGIOUOGVJFENB-UHFFFAOYSA-N
MW301.35 g/mol
LogP4.42
Rot. Bonds3

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

4-[[methyl-(2-methylcyclohexyl)amino]methyl]-2-(trifluoromethyl)phenol (PubChem CID 82959398) has the molecular formula C16H22F3NO and a molecular weight of 301.35 g/mol. Its IUPAC name is 4-[[methyl-(2-methylcyclohexyl)amino]methyl]-2-(trifluoromethyl)phenol.

Molecular Properties

Compound Name4-[[methyl-(2-methylcyclohexyl)amino]methyl]-2-(trifluoromethyl)phenol
PubChem CID82959398
Molecular FormulaC16H22F3NO
Molecular Weight301.35 g/mol
Exact Mass301.17
IUPAC Name4-[[methyl-(2-methylcyclohexyl)amino]methyl]-2-(trifluoromethyl)phenol
SMILESCC1CCCCC1N(C)Cc1ccc(O)c(C(F)(F)F)c1
InChIInChI=1S/C16H22F3NO/c1-11-5-3-4-6-14(11)20(2)10-12-7-8-15(21)13(9-12)16(17,18)19/h7-9,11,14,21H,3-6,10H2,1-2H3
InChIKeyDHGIOUOGVJFENB-UHFFFAOYSA-N
XLogP4.42
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[[methyl-(2-methylcyclohexyl)amino]methyl]-2-(trifluoromethyl)phenol?
The IUPAC name of 4-[[methyl-(2-methylcyclohexyl)amino]methyl]-2-(trifluoromethyl)phenol (CID 82959398) is 4-[[methyl-(2-methylcyclohexyl)amino]methyl]-2-(trifluoromethyl)phenol.
What is the SMILES notation for 4-[[methyl-(2-methylcyclohexyl)amino]methyl]-2-(trifluoromethyl)phenol?
The canonical SMILES for 4-[[methyl-(2-methylcyclohexyl)amino]methyl]-2-(trifluoromethyl)phenol is CC1CCCCC1N(C)Cc1ccc(O)c(C(F)(F)F)c1.
What is the InChIKey of 4-[[methyl-(2-methylcyclohexyl)amino]methyl]-2-(trifluoromethyl)phenol?
The InChIKey is DHGIOUOGVJFENB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F3NO/c1-11-5-3-4-6-14(11)20(2)10-12-7-8-15(21)13(9-12)16(17,18)19/h7-9,11,14,21H,3-6,10H2,1-2H3.
What are the key properties of 4-[[methyl-(2-methylcyclohexyl)amino]methyl]-2-(trifluoromethyl)phenol?
4-[[methyl-(2-methylcyclohexyl)amino]methyl]-2-(trifluoromethyl)phenol has a molecular weight of 301.35 g/mol, XLogP of 4.42, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[methyl-(2-methylcyclohexyl)amino]methyl]-2-(trifluoromethyl)phenol is sourced from PubChem (CID 82959398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).