2-(3-ethoxy-2-pentoxyphenyl)ethanamine

C15H25NO2 — CID 54930821

IUPAC2-(3-ethoxy-2-pentoxyphenyl)ethanamine
SMILESCCCCCOc1c(CCN)cccc1OCC
InChIInChI=1S/C15H25NO2/c1-3-5-6-12-18-15-13(10-11-16)8-7-9-14(15)17-4-2/h7-9H,3-6,10-12,16H2,1-2H3
InChIKeyVPUFVWFAMZDYKH-UHFFFAOYSA-N
MW251.37 g/mol
LogP3.16
Rot. Bonds9

About 2-(3-ethoxy-2-pentoxyphenyl)ethanamine

2-(3-ethoxy-2-pentoxyphenyl)ethanamine (PubChem CID 54930821) has the molecular formula C15H25NO2 and a molecular weight of 251.37 g/mol. Its IUPAC name is 2-(3-ethoxy-2-pentoxyphenyl)ethanamine.

Molecular Properties

Compound Name2-(3-ethoxy-2-pentoxyphenyl)ethanamine
PubChem CID54930821
Molecular FormulaC15H25NO2
Molecular Weight251.37 g/mol
Exact Mass251.19
IUPAC Name2-(3-ethoxy-2-pentoxyphenyl)ethanamine
SMILESCCCCCOc1c(CCN)cccc1OCC
InChIInChI=1S/C15H25NO2/c1-3-5-6-12-18-15-13(10-11-16)8-7-9-14(15)17-4-2/h7-9H,3-6,10-12,16H2,1-2H3
InChIKeyVPUFVWFAMZDYKH-UHFFFAOYSA-N
XLogP3.16
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(3-ethoxy-2-heptoxyphenyl)ethanamine
CID 60905453
2-[3-ethoxy-2-(3-methoxypropoxy)phenyl]ethanamine
CID 54935377
2-[3-ethoxy-2-(3-ethylsulfonylpropoxy)phenyl]ethanamine
CID 65095267
2-(3-fluoro-2-pentoxyphenyl)ethanamine
CID 112615154
2-(3-bromo-2-decoxyphenyl)ethanamine
CID 63421842
2-(3-bromo-2-nonoxyphenyl)ethanamine
CID 63421758
2-[2-(2-aminoethyl)-6-ethoxyphenoxy]acetonitrile
CID 60905803
2-[3-methoxy-2-(4-methoxybutoxy)phenyl]ethanamine
CID 104648792
1,2-diethoxy-3-pentoxybenzene
CID 174527240
2-[2-[(2-chlorophenyl)methoxy]-3-ethoxyphenyl]ethanamine
CID 60905689
2-[3-ethoxy-2-[(4-iodophenyl)methoxy]phenyl]ethanamine
CID 65476906
2-[3-methoxy-2-(3-methoxypropoxy)phenyl]ethanamine
CID 54935375

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethoxy-2-pentoxyphenyl)ethanamine?
The IUPAC name of 2-(3-ethoxy-2-pentoxyphenyl)ethanamine (CID 54930821) is 2-(3-ethoxy-2-pentoxyphenyl)ethanamine.
What is the SMILES notation for 2-(3-ethoxy-2-pentoxyphenyl)ethanamine?
The canonical SMILES for 2-(3-ethoxy-2-pentoxyphenyl)ethanamine is CCCCCOc1c(CCN)cccc1OCC.
What is the InChIKey of 2-(3-ethoxy-2-pentoxyphenyl)ethanamine?
The InChIKey is VPUFVWFAMZDYKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2/c1-3-5-6-12-18-15-13(10-11-16)8-7-9-14(15)17-4-2/h7-9H,3-6,10-12,16H2,1-2H3.
What are the key properties of 2-(3-ethoxy-2-pentoxyphenyl)ethanamine?
2-(3-ethoxy-2-pentoxyphenyl)ethanamine has a molecular weight of 251.37 g/mol, XLogP of 3.16, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethoxy-2-pentoxyphenyl)ethanamine is sourced from PubChem (CID 54930821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).