1-[2-[3-(diethylamino)prop-1-ynyl]phenyl]ethanone

C15H19NO — CID 102350664

IUPAC1-[2-[3-(diethylamino)prop-1-ynyl]phenyl]ethanone
SMILESCCN(CC)CC#Cc1ccccc1C(C)=O
InChIInChI=1S/C15H19NO/c1-4-16(5-2)12-8-10-14-9-6-7-11-15(14)13(3)17/h6-7,9,11H,4-5,12H2,1-3H3
InChIKeyMUAQQSDXLXPSSZ-UHFFFAOYSA-N
MW229.32 g/mol
LogP2.58
Rot. Bonds4

About 1-[2-[3-(diethylamino)prop-1-ynyl]phenyl]ethanone

1-[2-[3-(diethylamino)prop-1-ynyl]phenyl]ethanone (PubChem CID 102350664) has the molecular formula C15H19NO and a molecular weight of 229.32 g/mol. Its IUPAC name is 1-[2-[3-(diethylamino)prop-1-ynyl]phenyl]ethanone.

Molecular Properties

Compound Name1-[2-[3-(diethylamino)prop-1-ynyl]phenyl]ethanone
PubChem CID102350664
Molecular FormulaC15H19NO
Molecular Weight229.32 g/mol
Exact Mass229.15
IUPAC Name1-[2-[3-(diethylamino)prop-1-ynyl]phenyl]ethanone
SMILESCCN(CC)CC#Cc1ccccc1C(C)=O
InChIInChI=1S/C15H19NO/c1-4-16(5-2)12-8-10-14-9-6-7-11-15(14)13(3)17/h6-7,9,11H,4-5,12H2,1-3H3
InChIKeyMUAQQSDXLXPSSZ-UHFFFAOYSA-N
XLogP2.58
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[3-(diethylamino)prop-1-ynyl]phenyl]acetamide
CID 11436489
2-pent-1-ynylbenzoic acid
CID 10419975
6-(diethylamino)-1,1-diphenylhex-4-yn-2-one
CID 57339628
N-[2-[ethyl(methyl)amino]ethyl]-2-(4-hydroxybut-1-ynyl)benzamide
CID 62640326
2-hex-1-ynylbenzoyl chloride
CID 10727684
4-[2-(2-acetylphenyl)ethynyl]benzoic acid
CID 70289868
1-(2-acetylphenyl)ethanone;methane
CID 158210616
3-[2-[[ethyl(propyl)amino]methyl]phenyl]prop-2-yn-1-ol
CID 54970383
2-(3-sulfanylprop-1-ynyl)benzoic acid
CID 169486396
2-(3-aminoprop-1-ynyl)benzoic acid
CID 67117343
2-hex-1-ynyl-N-phenylbenzamide
CID 102337761
methyl 3-[ethyl(3-phenylprop-2-ynyl)amino]propanoate
CID 62339712

Frequently Asked Questions

What is the IUPAC name of 1-[2-[3-(diethylamino)prop-1-ynyl]phenyl]ethanone?
The IUPAC name of 1-[2-[3-(diethylamino)prop-1-ynyl]phenyl]ethanone (CID 102350664) is 1-[2-[3-(diethylamino)prop-1-ynyl]phenyl]ethanone.
What is the SMILES notation for 1-[2-[3-(diethylamino)prop-1-ynyl]phenyl]ethanone?
The canonical SMILES for 1-[2-[3-(diethylamino)prop-1-ynyl]phenyl]ethanone is CCN(CC)CC#Cc1ccccc1C(C)=O.
What is the InChIKey of 1-[2-[3-(diethylamino)prop-1-ynyl]phenyl]ethanone?
The InChIKey is MUAQQSDXLXPSSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO/c1-4-16(5-2)12-8-10-14-9-6-7-11-15(14)13(3)17/h6-7,9,11H,4-5,12H2,1-3H3.
What are the key properties of 1-[2-[3-(diethylamino)prop-1-ynyl]phenyl]ethanone?
1-[2-[3-(diethylamino)prop-1-ynyl]phenyl]ethanone has a molecular weight of 229.32 g/mol, XLogP of 2.58, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[3-(diethylamino)prop-1-ynyl]phenyl]ethanone is sourced from PubChem (CID 102350664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).