(4-methylcyclohexyl)-[[5-(trifluoromethyl)-2-pyridinyl]amino]methanol

C14H19F3N2O — CID 123312856

IUPAC(4-methylcyclohexyl)-[[5-(trifluoromethyl)-2-pyridinyl]amino]methanol
SMILESCC1CCC(C(O)Nc2ccc(C(F)(F)F)cn2)CC1
InChIInChI=1S/C14H19F3N2O/c1-9-2-4-10(5-3-9)13(20)19-12-7-6-11(8-18-12)14(15,16)17/h6-10,13,20H,2-5H2,1H3,(H,18,19)
InChIKeyHIJSUNXTTUGEPI-UHFFFAOYSA-N
MW288.31 g/mol
LogP3.66
Rot. Bonds3

About (4-methylcyclohexyl)-[[5-(trifluoromethyl)-2-pyridinyl]amino]methanol

(4-methylcyclohexyl)-[[5-(trifluoromethyl)-2-pyridinyl]amino]methanol (PubChem CID 123312856) has the molecular formula C14H19F3N2O and a molecular weight of 288.31 g/mol. Its IUPAC name is (4-methylcyclohexyl)-[[5-(trifluoromethyl)-2-pyridinyl]amino]methanol.

Molecular Properties

Compound Name(4-methylcyclohexyl)-[[5-(trifluoromethyl)-2-pyridinyl]amino]methanol
PubChem CID123312856
Molecular FormulaC14H19F3N2O
Molecular Weight288.31 g/mol
Exact Mass288.14
IUPAC Name(4-methylcyclohexyl)-[[5-(trifluoromethyl)-2-pyridinyl]amino]methanol
SMILESCC1CCC(C(O)Nc2ccc(C(F)(F)F)cn2)CC1
InChIInChI=1S/C14H19F3N2O/c1-9-2-4-10(5-3-9)13(20)19-12-7-6-11(8-18-12)14(15,16)17/h6-10,13,20H,2-5H2,1H3,(H,18,19)
InChIKeyHIJSUNXTTUGEPI-UHFFFAOYSA-N
XLogP3.66
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.31
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4-methylcyclohexyl)-[[5-(trifluoromethyl)-2-pyridinyl]amino]methanol?
The IUPAC name of (4-methylcyclohexyl)-[[5-(trifluoromethyl)-2-pyridinyl]amino]methanol (CID 123312856) is (4-methylcyclohexyl)-[[5-(trifluoromethyl)-2-pyridinyl]amino]methanol.
What is the SMILES notation for (4-methylcyclohexyl)-[[5-(trifluoromethyl)-2-pyridinyl]amino]methanol?
The canonical SMILES for (4-methylcyclohexyl)-[[5-(trifluoromethyl)-2-pyridinyl]amino]methanol is CC1CCC(C(O)Nc2ccc(C(F)(F)F)cn2)CC1.
What is the InChIKey of (4-methylcyclohexyl)-[[5-(trifluoromethyl)-2-pyridinyl]amino]methanol?
The InChIKey is HIJSUNXTTUGEPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3N2O/c1-9-2-4-10(5-3-9)13(20)19-12-7-6-11(8-18-12)14(15,16)17/h6-10,13,20H,2-5H2,1H3,(H,18,19).
What are the key properties of (4-methylcyclohexyl)-[[5-(trifluoromethyl)-2-pyridinyl]amino]methanol?
(4-methylcyclohexyl)-[[5-(trifluoromethyl)-2-pyridinyl]amino]methanol has a molecular weight of 288.31 g/mol, XLogP of 3.66, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylcyclohexyl)-[[5-(trifluoromethyl)-2-pyridinyl]amino]methanol is sourced from PubChem (CID 123312856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).