2-[3-methoxy-2-(2-piperidin-1-ylethoxy)phenyl]ethanamine

C16H26N2O2 — CID 22680917

IUPAC2-[3-methoxy-2-(2-piperidin-1-ylethoxy)phenyl]ethanamine
SMILESCOc1cccc(CCN)c1OCCN1CCCCC1
InChIInChI=1S/C16H26N2O2/c1-19-15-7-5-6-14(8-9-17)16(15)20-13-12-18-10-3-2-4-11-18/h5-7H,2-4,8-13,17H2,1H3
InChIKeyOQWJWJIQZONZIB-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.06
Rot. Bonds7

About 2-[3-methoxy-2-(2-piperidin-1-ylethoxy)phenyl]ethanamine

2-[3-methoxy-2-(2-piperidin-1-ylethoxy)phenyl]ethanamine (PubChem CID 22680917) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 2-[3-methoxy-2-(2-piperidin-1-ylethoxy)phenyl]ethanamine.

Molecular Properties

Compound Name2-[3-methoxy-2-(2-piperidin-1-ylethoxy)phenyl]ethanamine
PubChem CID22680917
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name2-[3-methoxy-2-(2-piperidin-1-ylethoxy)phenyl]ethanamine
SMILESCOc1cccc(CCN)c1OCCN1CCCCC1
InChIInChI=1S/C16H26N2O2/c1-19-15-7-5-6-14(8-9-17)16(15)20-13-12-18-10-3-2-4-11-18/h5-7H,2-4,8-13,17H2,1H3
InChIKeyOQWJWJIQZONZIB-UHFFFAOYSA-N
XLogP2.06
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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4-[3-[3-methoxy-2-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]propyl]morpholine
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3-[4-[(3-methoxy-2-propoxyphenyl)methyl]piperazin-1-yl]propan-1-amine
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CID 170863973

Frequently Asked Questions

What is the IUPAC name of 2-[3-methoxy-2-(2-piperidin-1-ylethoxy)phenyl]ethanamine?
The IUPAC name of 2-[3-methoxy-2-(2-piperidin-1-ylethoxy)phenyl]ethanamine (CID 22680917) is 2-[3-methoxy-2-(2-piperidin-1-ylethoxy)phenyl]ethanamine.
What is the SMILES notation for 2-[3-methoxy-2-(2-piperidin-1-ylethoxy)phenyl]ethanamine?
The canonical SMILES for 2-[3-methoxy-2-(2-piperidin-1-ylethoxy)phenyl]ethanamine is COc1cccc(CCN)c1OCCN1CCCCC1.
What is the InChIKey of 2-[3-methoxy-2-(2-piperidin-1-ylethoxy)phenyl]ethanamine?
The InChIKey is OQWJWJIQZONZIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-19-15-7-5-6-14(8-9-17)16(15)20-13-12-18-10-3-2-4-11-18/h5-7H,2-4,8-13,17H2,1H3.
What are the key properties of 2-[3-methoxy-2-(2-piperidin-1-ylethoxy)phenyl]ethanamine?
2-[3-methoxy-2-(2-piperidin-1-ylethoxy)phenyl]ethanamine has a molecular weight of 278.40 g/mol, XLogP of 2.06, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-methoxy-2-(2-piperidin-1-ylethoxy)phenyl]ethanamine is sourced from PubChem (CID 22680917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).