1-[3-[(3,3-dimethylmorpholin-4-yl)methyl]-4-ethoxyphenyl]ethanamine

C17H28N2O2 — CID 61433012

IUPAC1-[3-[(3,3-dimethylmorpholin-4-yl)methyl]-4-ethoxyphenyl]ethanamine
SMILESCCOc1ccc(C(C)N)cc1CN1CCOCC1(C)C
InChIInChI=1S/C17H28N2O2/c1-5-21-16-7-6-14(13(2)18)10-15(16)11-19-8-9-20-12-17(19,3)4/h6-7,10,13H,5,8-9,11-12,18H2,1-4H3
InChIKeyKYIMBMKNHUOPCU-UHFFFAOYSA-N
MW292.42 g/mol
LogP2.72
Rot. Bonds5

About 1-[3-[(3,3-dimethylmorpholin-4-yl)methyl]-4-ethoxyphenyl]ethanamine

1-[3-[(3,3-dimethylmorpholin-4-yl)methyl]-4-ethoxyphenyl]ethanamine (PubChem CID 61433012) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is 1-[3-[(3,3-dimethylmorpholin-4-yl)methyl]-4-ethoxyphenyl]ethanamine.

Molecular Properties

Compound Name1-[3-[(3,3-dimethylmorpholin-4-yl)methyl]-4-ethoxyphenyl]ethanamine
PubChem CID61433012
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC Name1-[3-[(3,3-dimethylmorpholin-4-yl)methyl]-4-ethoxyphenyl]ethanamine
SMILESCCOc1ccc(C(C)N)cc1CN1CCOCC1(C)C
InChIInChI=1S/C17H28N2O2/c1-5-21-16-7-6-14(13(2)18)10-15(16)11-19-8-9-20-12-17(19,3)4/h6-7,10,13H,5,8-9,11-12,18H2,1-4H3
InChIKeyKYIMBMKNHUOPCU-UHFFFAOYSA-N
XLogP2.72
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[(3,3-dimethylmorpholin-4-yl)methyl]-4-ethoxyphenyl]ethanamine?
The IUPAC name of 1-[3-[(3,3-dimethylmorpholin-4-yl)methyl]-4-ethoxyphenyl]ethanamine (CID 61433012) is 1-[3-[(3,3-dimethylmorpholin-4-yl)methyl]-4-ethoxyphenyl]ethanamine.
What is the SMILES notation for 1-[3-[(3,3-dimethylmorpholin-4-yl)methyl]-4-ethoxyphenyl]ethanamine?
The canonical SMILES for 1-[3-[(3,3-dimethylmorpholin-4-yl)methyl]-4-ethoxyphenyl]ethanamine is CCOc1ccc(C(C)N)cc1CN1CCOCC1(C)C.
What is the InChIKey of 1-[3-[(3,3-dimethylmorpholin-4-yl)methyl]-4-ethoxyphenyl]ethanamine?
The InChIKey is KYIMBMKNHUOPCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2/c1-5-21-16-7-6-14(13(2)18)10-15(16)11-19-8-9-20-12-17(19,3)4/h6-7,10,13H,5,8-9,11-12,18H2,1-4H3.
What are the key properties of 1-[3-[(3,3-dimethylmorpholin-4-yl)methyl]-4-ethoxyphenyl]ethanamine?
1-[3-[(3,3-dimethylmorpholin-4-yl)methyl]-4-ethoxyphenyl]ethanamine has a molecular weight of 292.42 g/mol, XLogP of 2.72, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(3,3-dimethylmorpholin-4-yl)methyl]-4-ethoxyphenyl]ethanamine is sourced from PubChem (CID 61433012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).