2-(3,3-dimethylmorpholin-4-yl)-2-(4-propoxyphenyl)ethanamine

C17H28N2O2 — CID 62496621

IUPAC2-(3,3-dimethylmorpholin-4-yl)-2-(4-propoxyphenyl)ethanamine
SMILESCCCOc1ccc(C(CN)N2CCOCC2(C)C)cc1
InChIInChI=1S/C17H28N2O2/c1-4-10-21-15-7-5-14(6-8-15)16(12-18)19-9-11-20-13-17(19,2)3/h5-8,16H,4,9-13,18H2,1-3H3
InChIKeyVPUYSYMYLUYKJZ-UHFFFAOYSA-N
MW292.42 g/mol
LogP2.59
Rot. Bonds6

About 2-(3,3-dimethylmorpholin-4-yl)-2-(4-propoxyphenyl)ethanamine

2-(3,3-dimethylmorpholin-4-yl)-2-(4-propoxyphenyl)ethanamine (PubChem CID 62496621) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is 2-(3,3-dimethylmorpholin-4-yl)-2-(4-propoxyphenyl)ethanamine.

Molecular Properties

Compound Name2-(3,3-dimethylmorpholin-4-yl)-2-(4-propoxyphenyl)ethanamine
PubChem CID62496621
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC Name2-(3,3-dimethylmorpholin-4-yl)-2-(4-propoxyphenyl)ethanamine
SMILESCCCOc1ccc(C(CN)N2CCOCC2(C)C)cc1
InChIInChI=1S/C17H28N2O2/c1-4-10-21-15-7-5-14(6-8-15)16(12-18)19-9-11-20-13-17(19,2)3/h5-8,16H,4,9-13,18H2,1-3H3
InChIKeyVPUYSYMYLUYKJZ-UHFFFAOYSA-N
XLogP2.59
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 ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3,3-dimethylmorpholin-4-yl)-2-(4-propan-2-yloxyphenyl)ethanamine
CID 61429670
2-(3,3-dimethylmorpholin-4-yl)-2-phenylethanamine
CID 61429869
2-(3,3-dimethylmorpholin-4-yl)-2-(4-methylsulfanylphenyl)ethanamine
CID 61430214
2-(3,3-dimethylmorpholin-4-yl)-2-(4-methoxy-3-methylphenyl)ethanamine
CID 62132253
2-(3,3-dimethylmorpholin-4-yl)-2-(3-fluoro-4-methoxyphenyl)ethanamine
CID 65096523
2-(3-chlorophenyl)-2-(3,3-dimethylmorpholin-4-yl)ethanamine
CID 61429561
2-(4-ethoxyphenyl)-2-(1,4-oxazepan-4-yl)ethanamine
CID 55152004
2-(2,2-dimethylmorpholin-4-yl)-2-(4-ethoxyphenyl)ethanamine
CID 43592587
(1R)-1-(4-propoxyphenyl)ethane-1,2-diamine
CID 66516534
N-methyl-N-(oxan-4-yl)-1-(4-propoxyphenyl)ethane-1,2-diamine
CID 62495950
2-(3-tert-butyl-1-methylpyrazol-4-yl)-2-(3,3-dimethylmorpholin-4-yl)ethanamine
CID 83090663
2-(3-propoxyphenyl)-2-pyrrolidin-1-ylethanamine
CID 62497316

Frequently Asked Questions

What is the IUPAC name of 2-(3,3-dimethylmorpholin-4-yl)-2-(4-propoxyphenyl)ethanamine?
The IUPAC name of 2-(3,3-dimethylmorpholin-4-yl)-2-(4-propoxyphenyl)ethanamine (CID 62496621) is 2-(3,3-dimethylmorpholin-4-yl)-2-(4-propoxyphenyl)ethanamine.
What is the SMILES notation for 2-(3,3-dimethylmorpholin-4-yl)-2-(4-propoxyphenyl)ethanamine?
The canonical SMILES for 2-(3,3-dimethylmorpholin-4-yl)-2-(4-propoxyphenyl)ethanamine is CCCOc1ccc(C(CN)N2CCOCC2(C)C)cc1.
What is the InChIKey of 2-(3,3-dimethylmorpholin-4-yl)-2-(4-propoxyphenyl)ethanamine?
The InChIKey is VPUYSYMYLUYKJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2/c1-4-10-21-15-7-5-14(6-8-15)16(12-18)19-9-11-20-13-17(19,2)3/h5-8,16H,4,9-13,18H2,1-3H3.
What are the key properties of 2-(3,3-dimethylmorpholin-4-yl)-2-(4-propoxyphenyl)ethanamine?
2-(3,3-dimethylmorpholin-4-yl)-2-(4-propoxyphenyl)ethanamine has a molecular weight of 292.42 g/mol, XLogP of 2.59, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3-dimethylmorpholin-4-yl)-2-(4-propoxyphenyl)ethanamine is sourced from PubChem (CID 62496621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).