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

C14H26F3NO — CID 81413069

IUPAC2-ethyl-2-[[[4-(trifluoromethyl)cyclohexyl]amino]methyl]butan-1-ol
SMILESCCC(CC)(CO)CNC1CCC(C(F)(F)F)CC1
InChIInChI=1S/C14H26F3NO/c1-3-13(4-2,10-19)9-18-12-7-5-11(6-8-12)14(15,16)17/h11-12,18-19H,3-10H2,1-2H3
InChIKeyNLFWELDXJBXLJM-UHFFFAOYSA-N
MW281.36 g/mol
LogP3.50
Rot. Bonds6

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

2-ethyl-2-[[[4-(trifluoromethyl)cyclohexyl]amino]methyl]butan-1-ol (PubChem CID 81413069) has the molecular formula C14H26F3NO and a molecular weight of 281.36 g/mol. Its IUPAC name is 2-ethyl-2-[[[4-(trifluoromethyl)cyclohexyl]amino]methyl]butan-1-ol.

Molecular Properties

Compound Name2-ethyl-2-[[[4-(trifluoromethyl)cyclohexyl]amino]methyl]butan-1-ol
PubChem CID81413069
Molecular FormulaC14H26F3NO
Molecular Weight281.36 g/mol
Exact Mass281.20
IUPAC Name2-ethyl-2-[[[4-(trifluoromethyl)cyclohexyl]amino]methyl]butan-1-ol
SMILESCCC(CC)(CO)CNC1CCC(C(F)(F)F)CC1
InChIInChI=1S/C14H26F3NO/c1-3-13(4-2,10-19)9-18-12-7-5-11(6-8-12)14(15,16)17/h11-12,18-19H,3-10H2,1-2H3
InChIKeyNLFWELDXJBXLJM-UHFFFAOYSA-N
XLogP3.50
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-[[[4-(trifluoromethyl)cyclohexyl]amino]methyl]butan-1-ol?
The IUPAC name of 2-ethyl-2-[[[4-(trifluoromethyl)cyclohexyl]amino]methyl]butan-1-ol (CID 81413069) is 2-ethyl-2-[[[4-(trifluoromethyl)cyclohexyl]amino]methyl]butan-1-ol.
What is the SMILES notation for 2-ethyl-2-[[[4-(trifluoromethyl)cyclohexyl]amino]methyl]butan-1-ol?
The canonical SMILES for 2-ethyl-2-[[[4-(trifluoromethyl)cyclohexyl]amino]methyl]butan-1-ol is CCC(CC)(CO)CNC1CCC(C(F)(F)F)CC1.
What is the InChIKey of 2-ethyl-2-[[[4-(trifluoromethyl)cyclohexyl]amino]methyl]butan-1-ol?
The InChIKey is NLFWELDXJBXLJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26F3NO/c1-3-13(4-2,10-19)9-18-12-7-5-11(6-8-12)14(15,16)17/h11-12,18-19H,3-10H2,1-2H3.
What are the key properties of 2-ethyl-2-[[[4-(trifluoromethyl)cyclohexyl]amino]methyl]butan-1-ol?
2-ethyl-2-[[[4-(trifluoromethyl)cyclohexyl]amino]methyl]butan-1-ol has a molecular weight of 281.36 g/mol, XLogP of 3.50, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-[[[4-(trifluoromethyl)cyclohexyl]amino]methyl]butan-1-ol is sourced from PubChem (CID 81413069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).