2-(3-propoxyphenyl)ethanamine

C11H17NO — CID 15205618

IUPAC2-(3-propoxyphenyl)ethanamine
SMILESCCCOc1cccc(CCN)c1
InChIInChI=1S/C11H17NO/c1-2-8-13-11-5-3-4-10(9-11)6-7-12/h3-5,9H,2,6-8,12H2,1H3
InChIKeyCDJFWESZVLIVIS-UHFFFAOYSA-N
MW179.26 g/mol
LogP1.98
Rot. Bonds5

About 2-(3-propoxyphenyl)ethanamine

2-(3-propoxyphenyl)ethanamine (PubChem CID 15205618) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is 2-(3-propoxyphenyl)ethanamine.

Molecular Properties

Compound Name2-(3-propoxyphenyl)ethanamine
PubChem CID15205618
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC Name2-(3-propoxyphenyl)ethanamine
SMILESCCCOc1cccc(CCN)c1
InChIInChI=1S/C11H17NO/c1-2-8-13-11-5-3-4-10(9-11)6-7-12/h3-5,9H,2,6-8,12H2,1H3
InChIKeyCDJFWESZVLIVIS-UHFFFAOYSA-N
XLogP1.98
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.26
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3-propoxyphenyl)ethanamine?
The IUPAC name of 2-(3-propoxyphenyl)ethanamine (CID 15205618) is 2-(3-propoxyphenyl)ethanamine.
What is the SMILES notation for 2-(3-propoxyphenyl)ethanamine?
The canonical SMILES for 2-(3-propoxyphenyl)ethanamine is CCCOc1cccc(CCN)c1.
What is the InChIKey of 2-(3-propoxyphenyl)ethanamine?
The InChIKey is CDJFWESZVLIVIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO/c1-2-8-13-11-5-3-4-10(9-11)6-7-12/h3-5,9H,2,6-8,12H2,1H3.
What are the key properties of 2-(3-propoxyphenyl)ethanamine?
2-(3-propoxyphenyl)ethanamine has a molecular weight of 179.26 g/mol, XLogP of 1.98, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-propoxyphenyl)ethanamine is sourced from PubChem (CID 15205618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).