2-(4-fluorophenyl)-N-methyl-1-(4-propan-2-ylmorpholin-2-yl)ethanamine

C16H25FN2O — CID 79663116

IUPAC2-(4-fluorophenyl)-N-methyl-1-(4-propan-2-ylmorpholin-2-yl)ethanamine
SMILESCNC(Cc1ccc(F)cc1)C1CN(C(C)C)CCO1
InChIInChI=1S/C16H25FN2O/c1-12(2)19-8-9-20-16(11-19)15(18-3)10-13-4-6-14(17)7-5-13/h4-7,12,15-16,18H,8-11H2,1-3H3
InChIKeyYAPOQTOHYSLQSZ-UHFFFAOYSA-N
MW280.39 g/mol
LogP2.07
Rot. Bonds5

About 2-(4-fluorophenyl)-N-methyl-1-(4-propan-2-ylmorpholin-2-yl)ethanamine

2-(4-fluorophenyl)-N-methyl-1-(4-propan-2-ylmorpholin-2-yl)ethanamine (PubChem CID 79663116) has the molecular formula C16H25FN2O and a molecular weight of 280.39 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-N-methyl-1-(4-propan-2-ylmorpholin-2-yl)ethanamine.

Molecular Properties

Compound Name2-(4-fluorophenyl)-N-methyl-1-(4-propan-2-ylmorpholin-2-yl)ethanamine
PubChem CID79663116
Molecular FormulaC16H25FN2O
Molecular Weight280.39 g/mol
Exact Mass280.20
IUPAC Name2-(4-fluorophenyl)-N-methyl-1-(4-propan-2-ylmorpholin-2-yl)ethanamine
SMILESCNC(Cc1ccc(F)cc1)C1CN(C(C)C)CCO1
InChIInChI=1S/C16H25FN2O/c1-12(2)19-8-9-20-16(11-19)15(18-3)10-13-4-6-14(17)7-5-13/h4-7,12,15-16,18H,8-11H2,1-3H3
InChIKeyYAPOQTOHYSLQSZ-UHFFFAOYSA-N
XLogP2.07
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.39
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-N-methyl-1-(4-propan-2-ylmorpholin-2-yl)ethanamine?
The IUPAC name of 2-(4-fluorophenyl)-N-methyl-1-(4-propan-2-ylmorpholin-2-yl)ethanamine (CID 79663116) is 2-(4-fluorophenyl)-N-methyl-1-(4-propan-2-ylmorpholin-2-yl)ethanamine.
What is the SMILES notation for 2-(4-fluorophenyl)-N-methyl-1-(4-propan-2-ylmorpholin-2-yl)ethanamine?
The canonical SMILES for 2-(4-fluorophenyl)-N-methyl-1-(4-propan-2-ylmorpholin-2-yl)ethanamine is CNC(Cc1ccc(F)cc1)C1CN(C(C)C)CCO1.
What is the InChIKey of 2-(4-fluorophenyl)-N-methyl-1-(4-propan-2-ylmorpholin-2-yl)ethanamine?
The InChIKey is YAPOQTOHYSLQSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25FN2O/c1-12(2)19-8-9-20-16(11-19)15(18-3)10-13-4-6-14(17)7-5-13/h4-7,12,15-16,18H,8-11H2,1-3H3.
What are the key properties of 2-(4-fluorophenyl)-N-methyl-1-(4-propan-2-ylmorpholin-2-yl)ethanamine?
2-(4-fluorophenyl)-N-methyl-1-(4-propan-2-ylmorpholin-2-yl)ethanamine has a molecular weight of 280.39 g/mol, XLogP of 2.07, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-N-methyl-1-(4-propan-2-ylmorpholin-2-yl)ethanamine is sourced from PubChem (CID 79663116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).