5-[2-(1-aminoethyl)phenyl]pentan-2-one

C13H19NO — CID 123707343

IUPAC5-[2-(1-aminoethyl)phenyl]pentan-2-one
SMILESCC(=O)CCCc1ccccc1C(C)N
InChIInChI=1S/C13H19NO/c1-10(15)6-5-8-12-7-3-4-9-13(12)11(2)14/h3-4,7,9,11H,5-6,8,14H2,1-2H3
InChIKeyKDNUPOXWJDEVKA-UHFFFAOYSA-N
MW205.30 g/mol
LogP2.62
Rot. Bonds5

About 5-[2-(1-aminoethyl)phenyl]pentan-2-one

5-[2-(1-aminoethyl)phenyl]pentan-2-one (PubChem CID 123707343) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is 5-[2-(1-aminoethyl)phenyl]pentan-2-one.

Molecular Properties

Compound Name5-[2-(1-aminoethyl)phenyl]pentan-2-one
PubChem CID123707343
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name5-[2-(1-aminoethyl)phenyl]pentan-2-one
SMILESCC(=O)CCCc1ccccc1C(C)N
InChIInChI=1S/C13H19NO/c1-10(15)6-5-8-12-7-3-4-9-13(12)11(2)14/h3-4,7,9,11H,5-6,8,14H2,1-2H3
InChIKeyKDNUPOXWJDEVKA-UHFFFAOYSA-N
XLogP2.62
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(1-aminoethyl)phenyl]pentan-2-one?
The IUPAC name of 5-[2-(1-aminoethyl)phenyl]pentan-2-one (CID 123707343) is 5-[2-(1-aminoethyl)phenyl]pentan-2-one.
What is the SMILES notation for 5-[2-(1-aminoethyl)phenyl]pentan-2-one?
The canonical SMILES for 5-[2-(1-aminoethyl)phenyl]pentan-2-one is CC(=O)CCCc1ccccc1C(C)N.
What is the InChIKey of 5-[2-(1-aminoethyl)phenyl]pentan-2-one?
The InChIKey is KDNUPOXWJDEVKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO/c1-10(15)6-5-8-12-7-3-4-9-13(12)11(2)14/h3-4,7,9,11H,5-6,8,14H2,1-2H3.
What are the key properties of 5-[2-(1-aminoethyl)phenyl]pentan-2-one?
5-[2-(1-aminoethyl)phenyl]pentan-2-one has a molecular weight of 205.30 g/mol, XLogP of 2.62, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(1-aminoethyl)phenyl]pentan-2-one is sourced from PubChem (CID 123707343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).