2-(3-ethylmorpholin-4-yl)-3-methyl-1-phenylbutan-1-amine

C17H28N2O — CID 43613063

IUPAC2-(3-ethylmorpholin-4-yl)-3-methyl-1-phenylbutan-1-amine
SMILESCCC1COCCN1C(C(C)C)C(N)c1ccccc1
InChIInChI=1S/C17H28N2O/c1-4-15-12-20-11-10-19(15)17(13(2)3)16(18)14-8-6-5-7-9-14/h5-9,13,15-17H,4,10-12,18H2,1-3H3
InChIKeyVZXUZIIRNCLDFX-UHFFFAOYSA-N
MW276.42 g/mol
LogP2.82
Rot. Bonds5

About 2-(3-ethylmorpholin-4-yl)-3-methyl-1-phenylbutan-1-amine

2-(3-ethylmorpholin-4-yl)-3-methyl-1-phenylbutan-1-amine (PubChem CID 43613063) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is 2-(3-ethylmorpholin-4-yl)-3-methyl-1-phenylbutan-1-amine.

Molecular Properties

Compound Name2-(3-ethylmorpholin-4-yl)-3-methyl-1-phenylbutan-1-amine
PubChem CID43613063
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC Name2-(3-ethylmorpholin-4-yl)-3-methyl-1-phenylbutan-1-amine
SMILESCCC1COCCN1C(C(C)C)C(N)c1ccccc1
InChIInChI=1S/C17H28N2O/c1-4-15-12-20-11-10-19(15)17(13(2)3)16(18)14-8-6-5-7-9-14/h5-9,13,15-17H,4,10-12,18H2,1-3H3
InChIKeyVZXUZIIRNCLDFX-UHFFFAOYSA-N
XLogP2.82
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 ≤ 52.82
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)-3-methyl-1-phenylbutan-1-amine?
The IUPAC name of 2-(3-ethylmorpholin-4-yl)-3-methyl-1-phenylbutan-1-amine (CID 43613063) is 2-(3-ethylmorpholin-4-yl)-3-methyl-1-phenylbutan-1-amine.
What is the SMILES notation for 2-(3-ethylmorpholin-4-yl)-3-methyl-1-phenylbutan-1-amine?
The canonical SMILES for 2-(3-ethylmorpholin-4-yl)-3-methyl-1-phenylbutan-1-amine is CCC1COCCN1C(C(C)C)C(N)c1ccccc1.
What is the InChIKey of 2-(3-ethylmorpholin-4-yl)-3-methyl-1-phenylbutan-1-amine?
The InChIKey is VZXUZIIRNCLDFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-4-15-12-20-11-10-19(15)17(13(2)3)16(18)14-8-6-5-7-9-14/h5-9,13,15-17H,4,10-12,18H2,1-3H3.
What are the key properties of 2-(3-ethylmorpholin-4-yl)-3-methyl-1-phenylbutan-1-amine?
2-(3-ethylmorpholin-4-yl)-3-methyl-1-phenylbutan-1-amine has a molecular weight of 276.42 g/mol, XLogP of 2.82, 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)-3-methyl-1-phenylbutan-1-amine is sourced from PubChem (CID 43613063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).