2-(3-ethylmorpholin-4-yl)-1-(4-propan-2-ylphenyl)ethanamine

C17H28N2O — CID 43613076

IUPAC2-(3-ethylmorpholin-4-yl)-1-(4-propan-2-ylphenyl)ethanamine
SMILESCCC1COCCN1CC(N)c1ccc(C(C)C)cc1
InChIInChI=1S/C17H28N2O/c1-4-16-12-20-10-9-19(16)11-17(18)15-7-5-14(6-8-15)13(2)3/h5-8,13,16-17H,4,9-12,18H2,1-3H3
InChIKeyOKGCDBHHNRRAFQ-UHFFFAOYSA-N
MW276.42 g/mol
LogP2.92
Rot. Bonds5

About 2-(3-ethylmorpholin-4-yl)-1-(4-propan-2-ylphenyl)ethanamine

2-(3-ethylmorpholin-4-yl)-1-(4-propan-2-ylphenyl)ethanamine (PubChem CID 43613076) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is 2-(3-ethylmorpholin-4-yl)-1-(4-propan-2-ylphenyl)ethanamine.

Molecular Properties

Compound Name2-(3-ethylmorpholin-4-yl)-1-(4-propan-2-ylphenyl)ethanamine
PubChem CID43613076
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC Name2-(3-ethylmorpholin-4-yl)-1-(4-propan-2-ylphenyl)ethanamine
SMILESCCC1COCCN1CC(N)c1ccc(C(C)C)cc1
InChIInChI=1S/C17H28N2O/c1-4-16-12-20-10-9-19(16)11-17(18)15-7-5-14(6-8-15)13(2)3/h5-8,13,16-17H,4,9-12,18H2,1-3H3
InChIKeyOKGCDBHHNRRAFQ-UHFFFAOYSA-N
XLogP2.92
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-ethylmorpholin-4-yl)-1-(4-propan-2-ylphenyl)ethanamine?
The IUPAC name of 2-(3-ethylmorpholin-4-yl)-1-(4-propan-2-ylphenyl)ethanamine (CID 43613076) is 2-(3-ethylmorpholin-4-yl)-1-(4-propan-2-ylphenyl)ethanamine.
What is the SMILES notation for 2-(3-ethylmorpholin-4-yl)-1-(4-propan-2-ylphenyl)ethanamine?
The canonical SMILES for 2-(3-ethylmorpholin-4-yl)-1-(4-propan-2-ylphenyl)ethanamine is CCC1COCCN1CC(N)c1ccc(C(C)C)cc1.
What is the InChIKey of 2-(3-ethylmorpholin-4-yl)-1-(4-propan-2-ylphenyl)ethanamine?
The InChIKey is OKGCDBHHNRRAFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-4-16-12-20-10-9-19(16)11-17(18)15-7-5-14(6-8-15)13(2)3/h5-8,13,16-17H,4,9-12,18H2,1-3H3.
What are the key properties of 2-(3-ethylmorpholin-4-yl)-1-(4-propan-2-ylphenyl)ethanamine?
2-(3-ethylmorpholin-4-yl)-1-(4-propan-2-ylphenyl)ethanamine has a molecular weight of 276.42 g/mol, XLogP of 2.92, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethylmorpholin-4-yl)-1-(4-propan-2-ylphenyl)ethanamine is sourced from PubChem (CID 43613076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).