2-[4-[2-(2,6-dimethylmorpholin-4-yl)ethoxy]phenyl]ethanamine;dihydrochloride

C16H28Cl2N2O2 — CID 71941842

IUPAC2-[4-[2-(2,6-dimethylmorpholin-4-yl)ethoxy]phenyl]ethanamine;dihydrochloride
SMILESCC1CN(CCOc2ccc(CCN)cc2)CC(C)O1.Cl.Cl
InChIInChI=1S/C16H26N2O2.2ClH/c1-13-11-18(12-14(2)20-13)9-10-19-16-5-3-15(4-6-16)7-8-17;;/h3-6,13-14H,7-12,17H2,1-2H3;2*1H
InChIKeyOHADTAVUHJIDCJ-UHFFFAOYSA-N
MW351.32 g/mol
LogP2.52
Rot. Bonds6

About 2-[4-[2-(2,6-dimethylmorpholin-4-yl)ethoxy]phenyl]ethanamine;dihydrochloride

2-[4-[2-(2,6-dimethylmorpholin-4-yl)ethoxy]phenyl]ethanamine;dihydrochloride (PubChem CID 71941842) has the molecular formula C16H28Cl2N2O2 and a molecular weight of 351.32 g/mol. Its IUPAC name is 2-[4-[2-(2,6-dimethylmorpholin-4-yl)ethoxy]phenyl]ethanamine;dihydrochloride.

Molecular Properties

Compound Name2-[4-[2-(2,6-dimethylmorpholin-4-yl)ethoxy]phenyl]ethanamine;dihydrochloride
PubChem CID71941842
Molecular FormulaC16H28Cl2N2O2
Molecular Weight351.32 g/mol
Exact Mass350.15
IUPAC Name2-[4-[2-(2,6-dimethylmorpholin-4-yl)ethoxy]phenyl]ethanamine;dihydrochloride
SMILESCC1CN(CCOc2ccc(CCN)cc2)CC(C)O1.Cl.Cl
InChIInChI=1S/C16H26N2O2.2ClH/c1-13-11-18(12-14(2)20-13)9-10-19-16-5-3-15(4-6-16)7-8-17;;/h3-6,13-14H,7-12,17H2,1-2H3;2*1H
InChIKeyOHADTAVUHJIDCJ-UHFFFAOYSA-N
XLogP2.52
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.32
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R,6R)-4-[2-(4-fluorophenoxy)ethyl]-2,6-dimethylmorpholine
CID 888238
2-[4-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethoxy]phenyl]acetic acid
CID 175940913
2-[4-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]phenyl]ethanamine
CID 104959118
[4-[2-(4-aminophenoxy)ethyl]-6-methylmorpholin-2-yl]methanol
CID 102932079
2-[4-[2-(3-methoxy-4-methylpiperidin-1-yl)ethoxy]phenyl]ethanamine
CID 102956585
1-[2-[4-(2-aminoethyl)phenoxy]ethyl]pyrrolidin-3-ol
CID 62941147
2-[4-[2-(3-ethyl-4-methylpiperazin-1-yl)ethoxy]phenyl]ethanamine
CID 63603160
4-[2-(2,6-dimethylmorpholin-4-yl)ethoxy]benzenecarboximidamide
CID 61299819
4-[2-[2-(2,6-dimethylmorpholin-4-yl)ethoxy]ethoxy]benzonitrile;hydrochloride
CID 2993844
(2S,6S)-4-[4-(4-iodophenoxy)butyl]-2,6-dimethylmorpholine
CID 2182517
(2R,6S)-2,6-dimethyl-4-[2-(3-methylphenoxy)ethyl]morpholine
CID 51970005
4-[3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]propoxy]benzonitrile
CID 7380226

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(2,6-dimethylmorpholin-4-yl)ethoxy]phenyl]ethanamine;dihydrochloride?
The IUPAC name of 2-[4-[2-(2,6-dimethylmorpholin-4-yl)ethoxy]phenyl]ethanamine;dihydrochloride (CID 71941842) is 2-[4-[2-(2,6-dimethylmorpholin-4-yl)ethoxy]phenyl]ethanamine;dihydrochloride.
What is the SMILES notation for 2-[4-[2-(2,6-dimethylmorpholin-4-yl)ethoxy]phenyl]ethanamine;dihydrochloride?
The canonical SMILES for 2-[4-[2-(2,6-dimethylmorpholin-4-yl)ethoxy]phenyl]ethanamine;dihydrochloride is CC1CN(CCOc2ccc(CCN)cc2)CC(C)O1.Cl.Cl.
What is the InChIKey of 2-[4-[2-(2,6-dimethylmorpholin-4-yl)ethoxy]phenyl]ethanamine;dihydrochloride?
The InChIKey is OHADTAVUHJIDCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2.2ClH/c1-13-11-18(12-14(2)20-13)9-10-19-16-5-3-15(4-6-16)7-8-17;;/h3-6,13-14H,7-12,17H2,1-2H3;2*1H.
What are the key properties of 2-[4-[2-(2,6-dimethylmorpholin-4-yl)ethoxy]phenyl]ethanamine;dihydrochloride?
2-[4-[2-(2,6-dimethylmorpholin-4-yl)ethoxy]phenyl]ethanamine;dihydrochloride has a molecular weight of 351.32 g/mol, XLogP of 2.52, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(2,6-dimethylmorpholin-4-yl)ethoxy]phenyl]ethanamine;dihydrochloride is sourced from PubChem (CID 71941842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).