3,3,4-trimethyl-1-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]cyclohexan-1-ol

C16H23F3N2O — CID 67363219

IUPAC3,3,4-trimethyl-1-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]cyclohexan-1-ol
SMILESCC1CCC(O)(CNc2ccc(C(F)(F)F)cn2)CC1(C)C
InChIInChI=1S/C16H23F3N2O/c1-11-6-7-15(22,9-14(11,2)3)10-21-13-5-4-12(8-20-13)16(17,18)19/h4-5,8,11,22H,6-7,9-10H2,1-3H3,(H,20,21)
InChIKeyCVYILCSBPSYICX-UHFFFAOYSA-N
MW316.37 g/mol
LogP4.09
Rot. Bonds3

About 3,3,4-trimethyl-1-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]cyclohexan-1-ol

3,3,4-trimethyl-1-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]cyclohexan-1-ol (PubChem CID 67363219) has the molecular formula C16H23F3N2O and a molecular weight of 316.37 g/mol. Its IUPAC name is 3,3,4-trimethyl-1-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name3,3,4-trimethyl-1-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]cyclohexan-1-ol
PubChem CID67363219
Molecular FormulaC16H23F3N2O
Molecular Weight316.37 g/mol
Exact Mass316.18
IUPAC Name3,3,4-trimethyl-1-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]cyclohexan-1-ol
SMILESCC1CCC(O)(CNc2ccc(C(F)(F)F)cn2)CC1(C)C
InChIInChI=1S/C16H23F3N2O/c1-11-6-7-15(22,9-14(11,2)3)10-21-13-5-4-12(8-20-13)16(17,18)19/h4-5,8,11,22H,6-7,9-10H2,1-3H3,(H,20,21)
InChIKeyCVYILCSBPSYICX-UHFFFAOYSA-N
XLogP4.09
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.37
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3,3,4-trimethyl-1-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]cyclohexan-1-ol with MolForge

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Related Compounds

cis-(1S,5R)-3,3,5-trimethyl-5-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]cyclohexan-1-ol
CID 70687372
cis-(1S,5R)-3,3,5-trimethyl-5-[(pyridin-2-ylamino)methyl]cyclohexan-1-ol
CID 70689435
2-Phenyl-1-(pyridin-2-ylamino)propan-2-ol
CID 72013847
cis-(1R,2R)-2-[(5-fluoro-2-pyridinyl)amino]-1-(trifluoromethyl)cyclohexan-1-ol
CID 172459626
2-[3-Methyl-3-[4-(trifluoromethyl)phenyl]butyl]-1-pyridin-2-ylguanidine
CID 155813688
N-[2-(adamantan-1-yloxy)ethyl]-5-(trifluoromethyl)pyridin-2-amine
CID 138756471
N-[2-(adamantan-1-yloxy)ethyl]-4-(trifluoromethyl)pyridin-2-amine
CID 138756472
N-[2-(adamantan-1-yloxy)ethyl]-3-(trifluoromethyl)pyridin-2-amine
CID 138756473
N-[2-(adamantan-2-yl)prop-1-yl]-5-(trifluoromethyl)pyridin-2-amine
CID 155921253
(3S*,4R*)-3-benzyl-4-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]-4-piperidinol
CID 56918286
2-Cyclopentyl-1-[(3-fluoro-2-pyridinyl)amino]propan-2-ol
CID 84586158
N-(2-methoxyethyl)-5-[4-(trifluoromethyl)phenyl]pyridin-2-amine
CID 126470346

Frequently Asked Questions

What is the IUPAC name of 3,3,4-trimethyl-1-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]cyclohexan-1-ol?
The IUPAC name of 3,3,4-trimethyl-1-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]cyclohexan-1-ol (CID 67363219) is 3,3,4-trimethyl-1-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]cyclohexan-1-ol.
What is the SMILES notation for 3,3,4-trimethyl-1-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]cyclohexan-1-ol?
The canonical SMILES for 3,3,4-trimethyl-1-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]cyclohexan-1-ol is CC1CCC(O)(CNc2ccc(C(F)(F)F)cn2)CC1(C)C.
What is the InChIKey of 3,3,4-trimethyl-1-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]cyclohexan-1-ol?
The InChIKey is CVYILCSBPSYICX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23F3N2O/c1-11-6-7-15(22,9-14(11,2)3)10-21-13-5-4-12(8-20-13)16(17,18)19/h4-5,8,11,22H,6-7,9-10H2,1-3H3,(H,20,21).
What are the key properties of 3,3,4-trimethyl-1-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]cyclohexan-1-ol?
3,3,4-trimethyl-1-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]cyclohexan-1-ol has a molecular weight of 316.37 g/mol, XLogP of 4.09, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,4-trimethyl-1-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]cyclohexan-1-ol is sourced from PubChem (CID 67363219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).