[2-(1-aminoethyl)morpholin-4-yl]-[2-(trifluoromethyl)cyclohexyl]methanone

C14H23F3N2O2 — CID 115737897

IUPAC[2-(1-aminoethyl)morpholin-4-yl]-[2-(trifluoromethyl)cyclohexyl]methanone
SMILESCC(N)C1CN(C(=O)C2CCCCC2C(F)(F)F)CCO1
InChIInChI=1S/C14H23F3N2O2/c1-9(18)12-8-19(6-7-21-12)13(20)10-4-2-3-5-11(10)14(15,16)17/h9-12H,2-8,18H2,1H3
InChIKeyPYDBIJOJSOFHPG-UHFFFAOYSA-N
MW308.34 g/mol
LogP1.93
Rot. Bonds2

About [2-(1-aminoethyl)morpholin-4-yl]-[2-(trifluoromethyl)cyclohexyl]methanone

[2-(1-aminoethyl)morpholin-4-yl]-[2-(trifluoromethyl)cyclohexyl]methanone (PubChem CID 115737897) has the molecular formula C14H23F3N2O2 and a molecular weight of 308.34 g/mol. Its IUPAC name is [2-(1-aminoethyl)morpholin-4-yl]-[2-(trifluoromethyl)cyclohexyl]methanone.

Molecular Properties

Compound Name[2-(1-aminoethyl)morpholin-4-yl]-[2-(trifluoromethyl)cyclohexyl]methanone
PubChem CID115737897
Molecular FormulaC14H23F3N2O2
Molecular Weight308.34 g/mol
Exact Mass308.17
IUPAC Name[2-(1-aminoethyl)morpholin-4-yl]-[2-(trifluoromethyl)cyclohexyl]methanone
SMILESCC(N)C1CN(C(=O)C2CCCCC2C(F)(F)F)CCO1
InChIInChI=1S/C14H23F3N2O2/c1-9(18)12-8-19(6-7-21-12)13(20)10-4-2-3-5-11(10)14(15,16)17/h9-12H,2-8,18H2,1H3
InChIKeyPYDBIJOJSOFHPG-UHFFFAOYSA-N
XLogP1.93
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-(1-aminoethyl)morpholin-4-yl]-[2-(trifluoromethyl)cyclohexyl]methanone?
The IUPAC name of [2-(1-aminoethyl)morpholin-4-yl]-[2-(trifluoromethyl)cyclohexyl]methanone (CID 115737897) is [2-(1-aminoethyl)morpholin-4-yl]-[2-(trifluoromethyl)cyclohexyl]methanone.
What is the SMILES notation for [2-(1-aminoethyl)morpholin-4-yl]-[2-(trifluoromethyl)cyclohexyl]methanone?
The canonical SMILES for [2-(1-aminoethyl)morpholin-4-yl]-[2-(trifluoromethyl)cyclohexyl]methanone is CC(N)C1CN(C(=O)C2CCCCC2C(F)(F)F)CCO1.
What is the InChIKey of [2-(1-aminoethyl)morpholin-4-yl]-[2-(trifluoromethyl)cyclohexyl]methanone?
The InChIKey is PYDBIJOJSOFHPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23F3N2O2/c1-9(18)12-8-19(6-7-21-12)13(20)10-4-2-3-5-11(10)14(15,16)17/h9-12H,2-8,18H2,1H3.
What are the key properties of [2-(1-aminoethyl)morpholin-4-yl]-[2-(trifluoromethyl)cyclohexyl]methanone?
[2-(1-aminoethyl)morpholin-4-yl]-[2-(trifluoromethyl)cyclohexyl]methanone has a molecular weight of 308.34 g/mol, XLogP of 1.93, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1-aminoethyl)morpholin-4-yl]-[2-(trifluoromethyl)cyclohexyl]methanone is sourced from PubChem (CID 115737897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).