[1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-3-methylcyclohexyl]methanol

C14H18ClF3N2O — CID 62526882

IUPAC[1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-3-methylcyclohexyl]methanol
SMILESCC1CCCC(CO)(Nc2ncc(C(F)(F)F)cc2Cl)C1
InChIInChI=1S/C14H18ClF3N2O/c1-9-3-2-4-13(6-9,8-21)20-12-11(15)5-10(7-19-12)14(16,17)18/h5,7,9,21H,2-4,6,8H2,1H3,(H,19,20)
InChIKeyNIWVMLRFKLCRDW-UHFFFAOYSA-N
MW322.76 g/mol
LogP4.11
Rot. Bonds3

About [1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-3-methylcyclohexyl]methanol

[1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-3-methylcyclohexyl]methanol (PubChem CID 62526882) has the molecular formula C14H18ClF3N2O and a molecular weight of 322.76 g/mol. Its IUPAC name is [1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-3-methylcyclohexyl]methanol.

Molecular Properties

Compound Name[1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-3-methylcyclohexyl]methanol
PubChem CID62526882
Molecular FormulaC14H18ClF3N2O
Molecular Weight322.76 g/mol
Exact Mass322.11
IUPAC Name[1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-3-methylcyclohexyl]methanol
SMILESCC1CCCC(CO)(Nc2ncc(C(F)(F)F)cc2Cl)C1
InChIInChI=1S/C14H18ClF3N2O/c1-9-3-2-4-13(6-9,8-21)20-12-11(15)5-10(7-19-12)14(16,17)18/h5,7,9,21H,2-4,6,8H2,1H3,(H,19,20)
InChIKeyNIWVMLRFKLCRDW-UHFFFAOYSA-N
XLogP4.11
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.76
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[1-[(5-chloro-2-hydrazinylpyrimidin-4-yl)amino]-3-methylcyclohexyl]methanol
CID 80919691
[1-[(6-chloropyrimidin-4-yl)amino]-3-methylcyclohexyl]methanol
CID 62553573
[3-methyl-1-[(5-methylpyrimidin-2-yl)amino]cyclohexyl]methanol
CID 63208586
3-chloro-N-(2-methylcyclohexyl)-5-(trifluoromethyl)pyridin-2-amine
CID 43081784
3-chloro-N-(3-methylcyclobutyl)-5-(trifluoromethyl)pyridin-2-amine
CID 113248032
[1-[(3-amino-6-methoxy-2-pyridinyl)amino]-3-methylcyclohexyl]methanol
CID 115320724
3-chloro-N-[(5-methyl-1,3-thiazol-2-yl)methyl]-5-(trifluoromethyl)pyridin-2-amine
CID 103703845
[1-[[5-ethyl-6-(ethylamino)pyrimidin-4-yl]amino]-3-methylcyclohexyl]methanol
CID 80803825
[1-(2-amino-6-chloroanilino)-3-methylcyclohexyl]methanol
CID 62551812
[3-methyl-1-[[6-(methylamino)-5-propan-2-ylpyrimidin-4-yl]amino]cyclohexyl]methanol
CID 80803951
4-[[1-(hydroxymethyl)-3-methylcyclohexyl]amino]-5-iodo-1H-pyrimidin-6-one
CID 136975443
N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]propanamide
CID 143960305

Frequently Asked Questions

What is the IUPAC name of [1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-3-methylcyclohexyl]methanol?
The IUPAC name of [1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-3-methylcyclohexyl]methanol (CID 62526882) is [1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-3-methylcyclohexyl]methanol.
What is the SMILES notation for [1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-3-methylcyclohexyl]methanol?
The canonical SMILES for [1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-3-methylcyclohexyl]methanol is CC1CCCC(CO)(Nc2ncc(C(F)(F)F)cc2Cl)C1.
What is the InChIKey of [1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-3-methylcyclohexyl]methanol?
The InChIKey is NIWVMLRFKLCRDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClF3N2O/c1-9-3-2-4-13(6-9,8-21)20-12-11(15)5-10(7-19-12)14(16,17)18/h5,7,9,21H,2-4,6,8H2,1H3,(H,19,20).
What are the key properties of [1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-3-methylcyclohexyl]methanol?
[1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-3-methylcyclohexyl]methanol has a molecular weight of 322.76 g/mol, XLogP of 4.11, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-3-methylcyclohexyl]methanol is sourced from PubChem (CID 62526882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).