2-(3-ethoxyphenyl)propan-2-amine

C11H17NO — CID 79004996

IUPAC2-(3-ethoxyphenyl)propan-2-amine
SMILESCCOc1cccc(C(C)(C)N)c1
InChIInChI=1S/C11H17NO/c1-4-13-10-7-5-6-9(8-10)11(2,3)12/h5-8H,4,12H2,1-3H3
InChIKeyCRDOGXYZZPBAOX-UHFFFAOYSA-N
MW179.26 g/mol
LogP2.28
Rot. Bonds3

About 2-(3-ethoxyphenyl)propan-2-amine

2-(3-ethoxyphenyl)propan-2-amine (PubChem CID 79004996) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is 2-(3-ethoxyphenyl)propan-2-amine.

Molecular Properties

Compound Name2-(3-ethoxyphenyl)propan-2-amine
PubChem CID79004996
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC Name2-(3-ethoxyphenyl)propan-2-amine
SMILESCCOc1cccc(C(C)(C)N)c1
InChIInChI=1S/C11H17NO/c1-4-13-10-7-5-6-9(8-10)11(2,3)12/h5-8H,4,12H2,1-3H3
InChIKeyCRDOGXYZZPBAOX-UHFFFAOYSA-N
XLogP2.28
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.26
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3-ethoxyphenyl)propan-2-amine?
The IUPAC name of 2-(3-ethoxyphenyl)propan-2-amine (CID 79004996) is 2-(3-ethoxyphenyl)propan-2-amine.
What is the SMILES notation for 2-(3-ethoxyphenyl)propan-2-amine?
The canonical SMILES for 2-(3-ethoxyphenyl)propan-2-amine is CCOc1cccc(C(C)(C)N)c1.
What is the InChIKey of 2-(3-ethoxyphenyl)propan-2-amine?
The InChIKey is CRDOGXYZZPBAOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO/c1-4-13-10-7-5-6-9(8-10)11(2,3)12/h5-8H,4,12H2,1-3H3.
What are the key properties of 2-(3-ethoxyphenyl)propan-2-amine?
2-(3-ethoxyphenyl)propan-2-amine has a molecular weight of 179.26 g/mol, XLogP of 2.28, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethoxyphenyl)propan-2-amine is sourced from PubChem (CID 79004996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).