2-(3-ethoxyphenyl)ethanamine

C10H15NO — CID 2758765

IUPAC2-(3-ethoxyphenyl)ethanamine
SMILESCCOc1cccc(CCN)c1
InChIInChI=1S/C10H15NO/c1-2-12-10-5-3-4-9(8-10)6-7-11/h3-5,8H,2,6-7,11H2,1H3
InChIKeyPBWUNLYMHNSAPQ-UHFFFAOYSA-N
MW165.24 g/mol
LogP1.59
Rot. Bonds4

About 2-(3-ethoxyphenyl)ethanamine

2-(3-ethoxyphenyl)ethanamine (PubChem CID 2758765) has the molecular formula C10H15NO and a molecular weight of 165.24 g/mol. Its IUPAC name is 2-(3-ethoxyphenyl)ethanamine.

Molecular Properties

Compound Name2-(3-ethoxyphenyl)ethanamine
PubChem CID2758765
Molecular FormulaC10H15NO
Molecular Weight165.24 g/mol
Exact Mass165.12
IUPAC Name2-(3-ethoxyphenyl)ethanamine
SMILESCCOc1cccc(CCN)c1
InChIInChI=1S/C10H15NO/c1-2-12-10-5-3-4-9(8-10)6-7-11/h3-5,8H,2,6-7,11H2,1H3
InChIKeyPBWUNLYMHNSAPQ-UHFFFAOYSA-N
XLogP1.59
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3-ethoxyphenyl)ethanamine?
The IUPAC name of 2-(3-ethoxyphenyl)ethanamine (CID 2758765) is 2-(3-ethoxyphenyl)ethanamine.
What is the SMILES notation for 2-(3-ethoxyphenyl)ethanamine?
The canonical SMILES for 2-(3-ethoxyphenyl)ethanamine is CCOc1cccc(CCN)c1.
What is the InChIKey of 2-(3-ethoxyphenyl)ethanamine?
The InChIKey is PBWUNLYMHNSAPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO/c1-2-12-10-5-3-4-9(8-10)6-7-11/h3-5,8H,2,6-7,11H2,1H3.
What are the key properties of 2-(3-ethoxyphenyl)ethanamine?
2-(3-ethoxyphenyl)ethanamine has a molecular weight of 165.24 g/mol, XLogP of 1.59, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethoxyphenyl)ethanamine is sourced from PubChem (CID 2758765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).