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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Related Compounds

1-(3-ethylmorpholin-4-yl)-1-phenylpropan-2-amine
CID 55017138
3-(3-ethylmorpholin-4-yl)-2-methyl-1-phenylpropan-1-amine
CID 62618747
1-(3-ethylmorpholin-4-yl)-1-(3-methylphenyl)propan-2-amine
CID 55020122
2-(3-ethylmorpholin-4-yl)-1-phenylethanamine
CID 43613110
3-(3-ethylmorpholin-4-yl)-N'-hydroxy-3-phenylpropanimidamide
CID 76949126
1-(3-ethylmorpholin-4-yl)-1-thiophen-2-ylpropan-2-amine
CID 55021955
3-methyl-2-(1,4-oxazepan-4-yl)-1-phenylbutan-1-amine
CID 62987642
2-(3-ethylmorpholin-4-yl)-2-naphthalen-2-ylethanamine
CID 43611864
2-(3-ethylmorpholin-4-yl)-2-pyridin-3-ylethanamine
CID 43612945
2-methyl-3-(3-methylmorpholin-4-yl)-1-phenylpropan-1-amine
CID 62619774
3-ethyl-4-phenylmorpholine
CID 154695616
2-(3-ethylmorpholin-4-yl)-2-[2-(trifluoromethyl)phenyl]ethanamine
CID 43611843

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).