4-ethyl-1-[[[2-(trifluoromethyl)cyclohexyl]amino]methyl]cyclohexan-1-ol

C16H28F3NO — CID 65116141

IUPAC4-ethyl-1-[[[2-(trifluoromethyl)cyclohexyl]amino]methyl]cyclohexan-1-ol
SMILESCCC1CCC(O)(CNC2CCCCC2C(F)(F)F)CC1
InChIInChI=1S/C16H28F3NO/c1-2-12-7-9-15(21,10-8-12)11-20-14-6-4-3-5-13(14)16(17,18)19/h12-14,20-21H,2-11H2,1H3
InChIKeyBXZUCUUDIDSHQO-UHFFFAOYSA-N
MW307.40 g/mol
LogP4.03
Rot. Bonds4

About 4-ethyl-1-[[[2-(trifluoromethyl)cyclohexyl]amino]methyl]cyclohexan-1-ol

4-ethyl-1-[[[2-(trifluoromethyl)cyclohexyl]amino]methyl]cyclohexan-1-ol (PubChem CID 65116141) has the molecular formula C16H28F3NO and a molecular weight of 307.40 g/mol. Its IUPAC name is 4-ethyl-1-[[[2-(trifluoromethyl)cyclohexyl]amino]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name4-ethyl-1-[[[2-(trifluoromethyl)cyclohexyl]amino]methyl]cyclohexan-1-ol
PubChem CID65116141
Molecular FormulaC16H28F3NO
Molecular Weight307.40 g/mol
Exact Mass307.21
IUPAC Name4-ethyl-1-[[[2-(trifluoromethyl)cyclohexyl]amino]methyl]cyclohexan-1-ol
SMILESCCC1CCC(O)(CNC2CCCCC2C(F)(F)F)CC1
InChIInChI=1S/C16H28F3NO/c1-2-12-7-9-15(21,10-8-12)11-20-14-6-4-3-5-13(14)16(17,18)19/h12-14,20-21H,2-11H2,1H3
InChIKeyBXZUCUUDIDSHQO-UHFFFAOYSA-N
XLogP4.03
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-ethyl-1-[[(2-hydroxycyclohexyl)amino]methyl]cyclohexan-1-ol
CID 65118682
4-ethyl-1-[[(4-ethylcyclohexyl)amino]methyl]cyclohexan-1-ol
CID 65116333
N-(3-methylbut-2-enyl)-2-(trifluoromethyl)cyclohexan-1-amine
CID 104934180
4-ethyl-1-[[(1-methylpyrrolidin-3-yl)amino]methyl]cyclohexan-1-ol
CID 65116040
1-[[(4,4-dimethylcycloheptyl)amino]methyl]-4-ethylcyclohexan-1-ol
CID 65116174
4-ethyl-1-(ethylaminomethyl)cyclohexan-1-ol
CID 62773711
N-(2-methylpropyl)-2-(trifluoromethyl)cyclohexan-1-amine
CID 43434483
2-[[2-(trifluoromethyl)cyclohexyl]amino]ethanol
CID 64759490
2-[(1-hydroxycyclopentyl)methylamino]cyclohexan-1-ol
CID 65108881
N-[(4-ethyl-1-hydroxycyclohexyl)methyl]cyclopentanecarboxamide
CID 65121763
4-ethyl-1-[[(3-methylcyclopentyl)amino]methyl]cyclohexan-1-ol
CID 65116235
4-ethyl-1-[(thian-3-ylamino)methyl]cyclohexan-1-ol
CID 65116047

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1-[[[2-(trifluoromethyl)cyclohexyl]amino]methyl]cyclohexan-1-ol?
The IUPAC name of 4-ethyl-1-[[[2-(trifluoromethyl)cyclohexyl]amino]methyl]cyclohexan-1-ol (CID 65116141) is 4-ethyl-1-[[[2-(trifluoromethyl)cyclohexyl]amino]methyl]cyclohexan-1-ol.
What is the SMILES notation for 4-ethyl-1-[[[2-(trifluoromethyl)cyclohexyl]amino]methyl]cyclohexan-1-ol?
The canonical SMILES for 4-ethyl-1-[[[2-(trifluoromethyl)cyclohexyl]amino]methyl]cyclohexan-1-ol is CCC1CCC(O)(CNC2CCCCC2C(F)(F)F)CC1.
What is the InChIKey of 4-ethyl-1-[[[2-(trifluoromethyl)cyclohexyl]amino]methyl]cyclohexan-1-ol?
The InChIKey is BXZUCUUDIDSHQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28F3NO/c1-2-12-7-9-15(21,10-8-12)11-20-14-6-4-3-5-13(14)16(17,18)19/h12-14,20-21H,2-11H2,1H3.
What are the key properties of 4-ethyl-1-[[[2-(trifluoromethyl)cyclohexyl]amino]methyl]cyclohexan-1-ol?
4-ethyl-1-[[[2-(trifluoromethyl)cyclohexyl]amino]methyl]cyclohexan-1-ol has a molecular weight of 307.40 g/mol, XLogP of 4.03, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1-[[[2-(trifluoromethyl)cyclohexyl]amino]methyl]cyclohexan-1-ol is sourced from PubChem (CID 65116141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).