1-[4-[[4-(trifluoromethyl)phenyl]methyl]morpholin-2-yl]ethanamine

C14H19F3N2O — CID 81490365

IUPAC1-[4-[[4-(trifluoromethyl)phenyl]methyl]morpholin-2-yl]ethanamine
SMILESCC(N)C1CN(Cc2ccc(C(F)(F)F)cc2)CCO1
InChIInChI=1S/C14H19F3N2O/c1-10(18)13-9-19(6-7-20-13)8-11-2-4-12(5-3-11)14(15,16)17/h2-5,10,13H,6-9,18H2,1H3
InChIKeyBXTFGSMSZKZMME-UHFFFAOYSA-N
MW288.31 g/mol
LogP2.25
Rot. Bonds3

About 1-[4-[[4-(trifluoromethyl)phenyl]methyl]morpholin-2-yl]ethanamine

1-[4-[[4-(trifluoromethyl)phenyl]methyl]morpholin-2-yl]ethanamine (PubChem CID 81490365) has the molecular formula C14H19F3N2O and a molecular weight of 288.31 g/mol. Its IUPAC name is 1-[4-[[4-(trifluoromethyl)phenyl]methyl]morpholin-2-yl]ethanamine.

Molecular Properties

Compound Name1-[4-[[4-(trifluoromethyl)phenyl]methyl]morpholin-2-yl]ethanamine
PubChem CID81490365
Molecular FormulaC14H19F3N2O
Molecular Weight288.31 g/mol
Exact Mass288.14
IUPAC Name1-[4-[[4-(trifluoromethyl)phenyl]methyl]morpholin-2-yl]ethanamine
SMILESCC(N)C1CN(Cc2ccc(C(F)(F)F)cc2)CCO1
InChIInChI=1S/C14H19F3N2O/c1-10(18)13-9-19(6-7-20-13)8-11-2-4-12(5-3-11)14(15,16)17/h2-5,10,13H,6-9,18H2,1H3
InChIKeyBXTFGSMSZKZMME-UHFFFAOYSA-N
XLogP2.25
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.31
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[[4-(trifluoromethyl)phenyl]methyl]morpholin-2-yl]ethanamine?
The IUPAC name of 1-[4-[[4-(trifluoromethyl)phenyl]methyl]morpholin-2-yl]ethanamine (CID 81490365) is 1-[4-[[4-(trifluoromethyl)phenyl]methyl]morpholin-2-yl]ethanamine.
What is the SMILES notation for 1-[4-[[4-(trifluoromethyl)phenyl]methyl]morpholin-2-yl]ethanamine?
The canonical SMILES for 1-[4-[[4-(trifluoromethyl)phenyl]methyl]morpholin-2-yl]ethanamine is CC(N)C1CN(Cc2ccc(C(F)(F)F)cc2)CCO1.
What is the InChIKey of 1-[4-[[4-(trifluoromethyl)phenyl]methyl]morpholin-2-yl]ethanamine?
The InChIKey is BXTFGSMSZKZMME-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3N2O/c1-10(18)13-9-19(6-7-20-13)8-11-2-4-12(5-3-11)14(15,16)17/h2-5,10,13H,6-9,18H2,1H3.
What are the key properties of 1-[4-[[4-(trifluoromethyl)phenyl]methyl]morpholin-2-yl]ethanamine?
1-[4-[[4-(trifluoromethyl)phenyl]methyl]morpholin-2-yl]ethanamine has a molecular weight of 288.31 g/mol, XLogP of 2.25, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[4-(trifluoromethyl)phenyl]methyl]morpholin-2-yl]ethanamine is sourced from PubChem (CID 81490365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).