[5-methyl-4-[[4-(trifluoromethyl)phenyl]methyl]morpholin-2-yl]methanamine

C14H19F3N2O — CID 81218610

IUPAC[5-methyl-4-[[4-(trifluoromethyl)phenyl]methyl]morpholin-2-yl]methanamine
SMILESCC1COC(CN)CN1Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C14H19F3N2O/c1-10-9-20-13(6-18)8-19(10)7-11-2-4-12(5-3-11)14(15,16)17/h2-5,10,13H,6-9,18H2,1H3
InChIKeyTZEZMNMBWFAQRY-UHFFFAOYSA-N
MW288.31 g/mol
LogP2.25
Rot. Bonds3

About [5-methyl-4-[[4-(trifluoromethyl)phenyl]methyl]morpholin-2-yl]methanamine

[5-methyl-4-[[4-(trifluoromethyl)phenyl]methyl]morpholin-2-yl]methanamine (PubChem CID 81218610) has the molecular formula C14H19F3N2O and a molecular weight of 288.31 g/mol. Its IUPAC name is [5-methyl-4-[[4-(trifluoromethyl)phenyl]methyl]morpholin-2-yl]methanamine.

Molecular Properties

Compound Name[5-methyl-4-[[4-(trifluoromethyl)phenyl]methyl]morpholin-2-yl]methanamine
PubChem CID81218610
Molecular FormulaC14H19F3N2O
Molecular Weight288.31 g/mol
Exact Mass288.14
IUPAC Name[5-methyl-4-[[4-(trifluoromethyl)phenyl]methyl]morpholin-2-yl]methanamine
SMILESCC1COC(CN)CN1Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C14H19F3N2O/c1-10-9-20-13(6-18)8-19(10)7-11-2-4-12(5-3-11)14(15,16)17/h2-5,10,13H,6-9,18H2,1H3
InChIKeyTZEZMNMBWFAQRY-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 [5-methyl-4-[[4-(trifluoromethyl)phenyl]methyl]morpholin-2-yl]methanamine?
The IUPAC name of [5-methyl-4-[[4-(trifluoromethyl)phenyl]methyl]morpholin-2-yl]methanamine (CID 81218610) is [5-methyl-4-[[4-(trifluoromethyl)phenyl]methyl]morpholin-2-yl]methanamine.
What is the SMILES notation for [5-methyl-4-[[4-(trifluoromethyl)phenyl]methyl]morpholin-2-yl]methanamine?
The canonical SMILES for [5-methyl-4-[[4-(trifluoromethyl)phenyl]methyl]morpholin-2-yl]methanamine is CC1COC(CN)CN1Cc1ccc(C(F)(F)F)cc1.
What is the InChIKey of [5-methyl-4-[[4-(trifluoromethyl)phenyl]methyl]morpholin-2-yl]methanamine?
The InChIKey is TZEZMNMBWFAQRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3N2O/c1-10-9-20-13(6-18)8-19(10)7-11-2-4-12(5-3-11)14(15,16)17/h2-5,10,13H,6-9,18H2,1H3.
What are the key properties of [5-methyl-4-[[4-(trifluoromethyl)phenyl]methyl]morpholin-2-yl]methanamine?
[5-methyl-4-[[4-(trifluoromethyl)phenyl]methyl]morpholin-2-yl]methanamine 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 [5-methyl-4-[[4-(trifluoromethyl)phenyl]methyl]morpholin-2-yl]methanamine is sourced from PubChem (CID 81218610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).