2-[4-[2-(3-methoxy-4-methylpiperidin-1-yl)ethoxy]phenyl]ethanamine

C17H28N2O2 — CID 102956585

IUPAC2-[4-[2-(3-methoxy-4-methylpiperidin-1-yl)ethoxy]phenyl]ethanamine
SMILESCOC1CN(CCOc2ccc(CCN)cc2)CCC1C
InChIInChI=1S/C17H28N2O2/c1-14-8-10-19(13-17(14)20-2)11-12-21-16-5-3-15(4-6-16)7-9-18/h3-6,14,17H,7-13,18H2,1-2H3
InChIKeyYJEHQZRIVILNDE-UHFFFAOYSA-N
MW292.42 g/mol
LogP1.92
Rot. Bonds7

About 2-[4-[2-(3-methoxy-4-methylpiperidin-1-yl)ethoxy]phenyl]ethanamine

2-[4-[2-(3-methoxy-4-methylpiperidin-1-yl)ethoxy]phenyl]ethanamine (PubChem CID 102956585) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is 2-[4-[2-(3-methoxy-4-methylpiperidin-1-yl)ethoxy]phenyl]ethanamine.

Molecular Properties

Compound Name2-[4-[2-(3-methoxy-4-methylpiperidin-1-yl)ethoxy]phenyl]ethanamine
PubChem CID102956585
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC Name2-[4-[2-(3-methoxy-4-methylpiperidin-1-yl)ethoxy]phenyl]ethanamine
SMILESCOC1CN(CCOc2ccc(CCN)cc2)CCC1C
InChIInChI=1S/C17H28N2O2/c1-14-8-10-19(13-17(14)20-2)11-12-21-16-5-3-15(4-6-16)7-9-18/h3-6,14,17H,7-13,18H2,1-2H3
InChIKeyYJEHQZRIVILNDE-UHFFFAOYSA-N
XLogP1.92
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-[4-(2-aminoethyl)phenoxy]ethyl]pyrrolidin-3-ol
CID 62941147
4-[3-(3-methoxy-4-methylpiperidin-1-yl)propoxy]benzonitrile
CID 102676445
[1-[2-[4-(2-aminoethyl)phenoxy]ethyl]-3-methylpyrrolidin-2-yl]methanol
CID 102778148
1-[2-[4-(aminomethyl)phenoxy]ethyl]-3-methylpiperidin-4-ol
CID 114678048
2-[4-[2-(2,6-dimethylmorpholin-4-yl)ethoxy]phenyl]ethanamine;dihydrochloride
CID 71941842
2-[4-[2-(3-ethyl-4-methylpiperazin-1-yl)ethoxy]phenyl]ethanamine
CID 63603160
3-[2-(3-methoxy-4-methylpiperidin-1-yl)ethoxy]benzenecarbothioamide
CID 102958081
4-(3-methoxy-4-methylpiperidin-1-yl)butan-1-amine
CID 102956570
1-[2-[4-(aminomethyl)phenoxy]ethyl]pyrrolidin-3-ol
CID 62943937
2-[4-[2-(2-methylpiperidin-1-yl)ethoxy]phenyl]ethanamine
CID 43253338
4-[2-[4-(2-aminoethyl)phenoxy]ethyl]-1-methylpiperazin-2-one
CID 64682601
[4-[2-(3-methoxypiperidin-1-yl)ethoxy]phenyl]methanamine
CID 102956615

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(3-methoxy-4-methylpiperidin-1-yl)ethoxy]phenyl]ethanamine?
The IUPAC name of 2-[4-[2-(3-methoxy-4-methylpiperidin-1-yl)ethoxy]phenyl]ethanamine (CID 102956585) is 2-[4-[2-(3-methoxy-4-methylpiperidin-1-yl)ethoxy]phenyl]ethanamine.
What is the SMILES notation for 2-[4-[2-(3-methoxy-4-methylpiperidin-1-yl)ethoxy]phenyl]ethanamine?
The canonical SMILES for 2-[4-[2-(3-methoxy-4-methylpiperidin-1-yl)ethoxy]phenyl]ethanamine is COC1CN(CCOc2ccc(CCN)cc2)CCC1C.
What is the InChIKey of 2-[4-[2-(3-methoxy-4-methylpiperidin-1-yl)ethoxy]phenyl]ethanamine?
The InChIKey is YJEHQZRIVILNDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2/c1-14-8-10-19(13-17(14)20-2)11-12-21-16-5-3-15(4-6-16)7-9-18/h3-6,14,17H,7-13,18H2,1-2H3.
What are the key properties of 2-[4-[2-(3-methoxy-4-methylpiperidin-1-yl)ethoxy]phenyl]ethanamine?
2-[4-[2-(3-methoxy-4-methylpiperidin-1-yl)ethoxy]phenyl]ethanamine has a molecular weight of 292.42 g/mol, XLogP of 1.92, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(3-methoxy-4-methylpiperidin-1-yl)ethoxy]phenyl]ethanamine is sourced from PubChem (CID 102956585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).