1-[4-[3-(diethylamino)propoxy]phenyl]ethanone;methane

C16H27NO2 — CID 161301503

IUPAC1-[4-[3-(diethylamino)propoxy]phenyl]ethanone;methane
SMILESC.CCN(CC)CCCOc1ccc(C(C)=O)cc1
InChIInChI=1S/C15H23NO2.CH4/c1-4-16(5-2)11-6-12-18-15-9-7-14(8-10-15)13(3)17;/h7-10H,4-6,11-12H2,1-3H3;1H4
InChIKeyVHRIQWYUIVRKSS-UHFFFAOYSA-N
MW265.40 g/mol
LogP3.64
Rot. Bonds8

About 1-[4-[3-(diethylamino)propoxy]phenyl]ethanone;methane

1-[4-[3-(diethylamino)propoxy]phenyl]ethanone;methane (PubChem CID 161301503) has the molecular formula C16H27NO2 and a molecular weight of 265.40 g/mol. Its IUPAC name is 1-[4-[3-(diethylamino)propoxy]phenyl]ethanone;methane.

Molecular Properties

Compound Name1-[4-[3-(diethylamino)propoxy]phenyl]ethanone;methane
PubChem CID161301503
Molecular FormulaC16H27NO2
Molecular Weight265.40 g/mol
Exact Mass265.20
IUPAC Name1-[4-[3-(diethylamino)propoxy]phenyl]ethanone;methane
SMILESC.CCN(CC)CCCOc1ccc(C(C)=O)cc1
InChIInChI=1S/C15H23NO2.CH4/c1-4-16(5-2)11-6-12-18-15-9-7-14(8-10-15)13(3)17;/h7-10H,4-6,11-12H2,1-3H3;1H4
InChIKeyVHRIQWYUIVRKSS-UHFFFAOYSA-N
XLogP3.64
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl 4-[3-(diethylamino)propoxy]benzoate
CID 18508138
2-bromo-1-[4-[3-(diethylamino)propoxy]phenyl]ethanone
CID 86591969
2-[4-[(E)-3-[4-[2-(diethylamino)ethoxy]phenyl]but-2-en-2-yl]phenoxy]-N,N-diethylethanamine
CID 3038049
1-[4-[3-(diethylamino)propoxy]phenyl]-2-phenylpropan-1-one
CID 155387268
1-[4-[(2R)-3-[3-(diethylamino)propylamino]-2-hydroxypropoxy]phenyl]ethanone
CID 31263188
1-[4-[3-(diethylamino)propoxy]phenyl]-2-phenylbutan-1-one
CID 70452860
1-[4-[2-[(4-acetylphenoxy)methoxy]ethoxy]phenyl]ethanone
CID 20752101
N-[4-[3-(diethylamino)propoxy]phenyl]propanamide
CID 174597936
[4-[3-[ethyl(2-hydroxyethyl)amino]propoxy]phenyl]-phenylmethanone
CID 58184911
N-[2-(4-acetylphenoxy)ethyl]-N-methylacetamide
CID 82037432
3-(diethylamino)-1-(4-propoxyphenyl)propan-1-one
CID 3056738
1-[4-[4-(4-propoxyphenyl)phenyl]phenyl]ethanone
CID 59457885

Frequently Asked Questions

What is the IUPAC name of 1-[4-[3-(diethylamino)propoxy]phenyl]ethanone;methane?
The IUPAC name of 1-[4-[3-(diethylamino)propoxy]phenyl]ethanone;methane (CID 161301503) is 1-[4-[3-(diethylamino)propoxy]phenyl]ethanone;methane.
What is the SMILES notation for 1-[4-[3-(diethylamino)propoxy]phenyl]ethanone;methane?
The canonical SMILES for 1-[4-[3-(diethylamino)propoxy]phenyl]ethanone;methane is C.CCN(CC)CCCOc1ccc(C(C)=O)cc1.
What is the InChIKey of 1-[4-[3-(diethylamino)propoxy]phenyl]ethanone;methane?
The InChIKey is VHRIQWYUIVRKSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2.CH4/c1-4-16(5-2)11-6-12-18-15-9-7-14(8-10-15)13(3)17;/h7-10H,4-6,11-12H2,1-3H3;1H4.
What are the key properties of 1-[4-[3-(diethylamino)propoxy]phenyl]ethanone;methane?
1-[4-[3-(diethylamino)propoxy]phenyl]ethanone;methane has a molecular weight of 265.40 g/mol, XLogP of 3.64, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[3-(diethylamino)propoxy]phenyl]ethanone;methane is sourced from PubChem (CID 161301503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).