1-[3-(2-aminoethoxy)phenyl]-3-phenylprop-2-yn-1-one

C17H15NO2 — CID 25164363

IUPAC1-[3-(2-aminoethoxy)phenyl]-3-phenylprop-2-yn-1-one
SMILESNCCOc1cccc(C(=O)C#Cc2ccccc2)c1
InChIInChI=1S/C17H15NO2/c18-11-12-20-16-8-4-7-15(13-16)17(19)10-9-14-5-2-1-3-6-14/h1-8,13H,11-12,18H2
InChIKeyQPPDHJAMYWVDFL-UHFFFAOYSA-N
MW265.31 g/mol
LogP2.26
Rot. Bonds4

About 1-[3-(2-aminoethoxy)phenyl]-3-phenylprop-2-yn-1-one

1-[3-(2-aminoethoxy)phenyl]-3-phenylprop-2-yn-1-one (PubChem CID 25164363) has the molecular formula C17H15NO2 and a molecular weight of 265.31 g/mol. Its IUPAC name is 1-[3-(2-aminoethoxy)phenyl]-3-phenylprop-2-yn-1-one.

Molecular Properties

Compound Name1-[3-(2-aminoethoxy)phenyl]-3-phenylprop-2-yn-1-one
PubChem CID25164363
Molecular FormulaC17H15NO2
Molecular Weight265.31 g/mol
Exact Mass265.11
IUPAC Name1-[3-(2-aminoethoxy)phenyl]-3-phenylprop-2-yn-1-one
SMILESNCCOc1cccc(C(=O)C#Cc2ccccc2)c1
InChIInChI=1S/C17H15NO2/c18-11-12-20-16-8-4-7-15(13-16)17(19)10-9-14-5-2-1-3-6-14/h1-8,13H,11-12,18H2
InChIKeyQPPDHJAMYWVDFL-UHFFFAOYSA-N
XLogP2.26
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

1-[3-(3-aminopropoxy)phenyl]ethanone
CID 82146512
N'-benzoyl-3-(2-phenoxyethoxy)benzohydrazide
CID 4955128
3-(2-phenylethoxy)benzamide
CID 17135006
[4-[3-(2-phenoxyethoxy)benzoyl]piperazin-1-yl]-[3-(2-phenoxyethoxy)phenyl]methanone
CID 4955546
[3-(2-aminoethoxy)phenyl]-(4-methylpiperazin-1-yl)methanone
CID 28761599
2-[3-(2-aminoacetyl)phenoxy]acetic acid
CID 70628823
2-amino-1-(3-phenylmethoxyphenyl)ethanone;hydrochloride
CID 71464250
3-[2-(3-carbonochloridoylphenoxy)ethoxy]benzoyl chloride
CID 101056667
1-[4-(methylamino)phenyl]-3-(3-phenylmethoxyphenyl)prop-2-yn-1-one
CID 142954637
[3-(2-aminoethoxy)phenyl]-(1-methylimidazol-2-yl)methanone
CID 96662606
[3-(2-phenoxyethoxycarbonyl)phenyl] 2-fluorobenzoate
CID 17161865
3-(3-bromophenyl)-1-phenylprop-2-yn-1-one
CID 13072742

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-aminoethoxy)phenyl]-3-phenylprop-2-yn-1-one?
The IUPAC name of 1-[3-(2-aminoethoxy)phenyl]-3-phenylprop-2-yn-1-one (CID 25164363) is 1-[3-(2-aminoethoxy)phenyl]-3-phenylprop-2-yn-1-one.
What is the SMILES notation for 1-[3-(2-aminoethoxy)phenyl]-3-phenylprop-2-yn-1-one?
The canonical SMILES for 1-[3-(2-aminoethoxy)phenyl]-3-phenylprop-2-yn-1-one is NCCOc1cccc(C(=O)C#Cc2ccccc2)c1.
What is the InChIKey of 1-[3-(2-aminoethoxy)phenyl]-3-phenylprop-2-yn-1-one?
The InChIKey is QPPDHJAMYWVDFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO2/c18-11-12-20-16-8-4-7-15(13-16)17(19)10-9-14-5-2-1-3-6-14/h1-8,13H,11-12,18H2.
What are the key properties of 1-[3-(2-aminoethoxy)phenyl]-3-phenylprop-2-yn-1-one?
1-[3-(2-aminoethoxy)phenyl]-3-phenylprop-2-yn-1-one has a molecular weight of 265.31 g/mol, XLogP of 2.26, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-aminoethoxy)phenyl]-3-phenylprop-2-yn-1-one is sourced from PubChem (CID 25164363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).