2-(2,5-dimethylmorpholin-4-yl)-1-(4-propoxyphenyl)ethanamine

C17H28N2O2 — CID 43544509

IUPAC2-(2,5-dimethylmorpholin-4-yl)-1-(4-propoxyphenyl)ethanamine
SMILESCCCOc1ccc(C(N)CN2CC(C)OCC2C)cc1
InChIInChI=1S/C17H28N2O2/c1-4-9-20-16-7-5-15(6-8-16)17(18)11-19-10-14(3)21-12-13(19)2/h5-8,13-14,17H,4,9-12,18H2,1-3H3
InChIKeyHWKUDFPSTRUJEL-UHFFFAOYSA-N
MW292.42 g/mol
LogP2.58
Rot. Bonds6

About 2-(2,5-dimethylmorpholin-4-yl)-1-(4-propoxyphenyl)ethanamine

2-(2,5-dimethylmorpholin-4-yl)-1-(4-propoxyphenyl)ethanamine (PubChem CID 43544509) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is 2-(2,5-dimethylmorpholin-4-yl)-1-(4-propoxyphenyl)ethanamine.

Molecular Properties

Compound Name2-(2,5-dimethylmorpholin-4-yl)-1-(4-propoxyphenyl)ethanamine
PubChem CID43544509
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC Name2-(2,5-dimethylmorpholin-4-yl)-1-(4-propoxyphenyl)ethanamine
SMILESCCCOc1ccc(C(N)CN2CC(C)OCC2C)cc1
InChIInChI=1S/C17H28N2O2/c1-4-9-20-16-7-5-15(6-8-16)17(18)11-19-10-14(3)21-12-13(19)2/h5-8,13-14,17H,4,9-12,18H2,1-3H3
InChIKeyHWKUDFPSTRUJEL-UHFFFAOYSA-N
XLogP2.58
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,5-dimethylmorpholin-4-yl)-1-phenylethanamine
CID 43544546
2-(5-ethyl-2-methylmorpholin-4-yl)-1-(4-methoxyphenyl)ethanamine
CID 61424478
2-(2-ethyl-5-methylpyrrolidin-1-yl)-1-(4-propoxyphenyl)ethanamine
CID 83219330
2-(2,5-dimethylmorpholin-4-yl)-1-(3-fluoro-4-methoxyphenyl)ethanamine
CID 107519671
(2R)-1-[(2S,5R)-2,5-dimethylmorpholin-4-yl]-3-(4-ethoxyphenoxy)propan-2-ol
CID 124738646
2-(2-ethylpyrrolidin-1-yl)-1-(4-propoxyphenyl)ethanamine
CID 60973388
2-(5-ethyl-2-methylmorpholin-4-yl)-1-(4-ethylphenyl)ethanamine
CID 61424037
2-(azepan-1-yl)-1-(4-propoxyphenyl)ethanamine
CID 16785820
2-(2,5-dimethylmorpholin-4-yl)-1-thiophen-2-ylethanamine
CID 115287695
1-(4-propoxyphenyl)propan-1-amine
CID 16783118
1-(4-propoxyphenyl)pentan-1-amine
CID 79016312
(1R)-1-(4-propoxyphenyl)ethane-1,2-diamine
CID 66516534

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylmorpholin-4-yl)-1-(4-propoxyphenyl)ethanamine?
The IUPAC name of 2-(2,5-dimethylmorpholin-4-yl)-1-(4-propoxyphenyl)ethanamine (CID 43544509) is 2-(2,5-dimethylmorpholin-4-yl)-1-(4-propoxyphenyl)ethanamine.
What is the SMILES notation for 2-(2,5-dimethylmorpholin-4-yl)-1-(4-propoxyphenyl)ethanamine?
The canonical SMILES for 2-(2,5-dimethylmorpholin-4-yl)-1-(4-propoxyphenyl)ethanamine is CCCOc1ccc(C(N)CN2CC(C)OCC2C)cc1.
What is the InChIKey of 2-(2,5-dimethylmorpholin-4-yl)-1-(4-propoxyphenyl)ethanamine?
The InChIKey is HWKUDFPSTRUJEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2/c1-4-9-20-16-7-5-15(6-8-16)17(18)11-19-10-14(3)21-12-13(19)2/h5-8,13-14,17H,4,9-12,18H2,1-3H3.
What are the key properties of 2-(2,5-dimethylmorpholin-4-yl)-1-(4-propoxyphenyl)ethanamine?
2-(2,5-dimethylmorpholin-4-yl)-1-(4-propoxyphenyl)ethanamine has a molecular weight of 292.42 g/mol, XLogP of 2.58, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethylmorpholin-4-yl)-1-(4-propoxyphenyl)ethanamine is sourced from PubChem (CID 43544509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).