1-(3-ethoxyphenyl)ethanamine

C10H15NO — CID 3253901

IUPAC1-(3-ethoxyphenyl)ethanamine
SMILESCCOc1cccc(C(C)N)c1
InChIInChI=1S/C10H15NO/c1-3-12-10-6-4-5-9(7-10)8(2)11/h4-8H,3,11H2,1-2H3
InChIKeyYIPGPYIRKCOZJP-UHFFFAOYSA-N
MW165.24 g/mol
LogP2.11
Rot. Bonds3

About 1-(3-ethoxyphenyl)ethanamine

1-(3-ethoxyphenyl)ethanamine (PubChem CID 3253901) has the molecular formula C10H15NO and a molecular weight of 165.24 g/mol. Its IUPAC name is 1-(3-ethoxyphenyl)ethanamine.

Molecular Properties

Compound Name1-(3-ethoxyphenyl)ethanamine
PubChem CID3253901
Molecular FormulaC10H15NO
Molecular Weight165.24 g/mol
Exact Mass165.12
IUPAC Name1-(3-ethoxyphenyl)ethanamine
SMILESCCOc1cccc(C(C)N)c1
InChIInChI=1S/C10H15NO/c1-3-12-10-6-4-5-9(7-10)8(2)11/h4-8H,3,11H2,1-2H3
InChIKeyYIPGPYIRKCOZJP-UHFFFAOYSA-N
XLogP2.11
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3-ethoxyphenyl)ethanamine?
The IUPAC name of 1-(3-ethoxyphenyl)ethanamine (CID 3253901) is 1-(3-ethoxyphenyl)ethanamine.
What is the SMILES notation for 1-(3-ethoxyphenyl)ethanamine?
The canonical SMILES for 1-(3-ethoxyphenyl)ethanamine is CCOc1cccc(C(C)N)c1.
What is the InChIKey of 1-(3-ethoxyphenyl)ethanamine?
The InChIKey is YIPGPYIRKCOZJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO/c1-3-12-10-6-4-5-9(7-10)8(2)11/h4-8H,3,11H2,1-2H3.
What are the key properties of 1-(3-ethoxyphenyl)ethanamine?
1-(3-ethoxyphenyl)ethanamine has a molecular weight of 165.24 g/mol, XLogP of 2.11, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethoxyphenyl)ethanamine is sourced from PubChem (CID 3253901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).