1-[4-[2-(dimethylamino)ethoxy]phenyl]-4-methylpentan-1-one

C16H25NO2 — CID 138635015

IUPAC1-[4-[2-(dimethylamino)ethoxy]phenyl]-4-methylpentan-1-one
SMILESCC(C)CCC(=O)c1ccc(OCCN(C)C)cc1
InChIInChI=1S/C16H25NO2/c1-13(2)5-10-16(18)14-6-8-15(9-7-14)19-12-11-17(3)4/h6-9,13H,5,10-12H2,1-4H3
InChIKeyLLJGWBDSXYMZNR-UHFFFAOYSA-N
MW263.38 g/mol
LogP3.25
Rot. Bonds8

About 1-[4-[2-(dimethylamino)ethoxy]phenyl]-4-methylpentan-1-one

1-[4-[2-(dimethylamino)ethoxy]phenyl]-4-methylpentan-1-one (PubChem CID 138635015) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 1-[4-[2-(dimethylamino)ethoxy]phenyl]-4-methylpentan-1-one.

Molecular Properties

Compound Name1-[4-[2-(dimethylamino)ethoxy]phenyl]-4-methylpentan-1-one
PubChem CID138635015
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name1-[4-[2-(dimethylamino)ethoxy]phenyl]-4-methylpentan-1-one
SMILESCC(C)CCC(=O)c1ccc(OCCN(C)C)cc1
InChIInChI=1S/C16H25NO2/c1-13(2)5-10-16(18)14-6-8-15(9-7-14)19-12-11-17(3)4/h6-9,13H,5,10-12H2,1-4H3
InChIKeyLLJGWBDSXYMZNR-UHFFFAOYSA-N
XLogP3.25
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[2-(dimethylamino)ethoxy]phenyl]-4-methylpentanamide
CID 87006868
[4-[2-(dimethylamino)ethoxy]phenyl]-phenylmethanone;molybdenum
CID 159586330
diethyl-[3-[4-(3-methylbutoxy)phenyl]-3-oxopropyl]azanium chloride
CID 44657526
4-[2-(dimethylamino)ethoxy]-N-ethylbenzamide
CID 110465146
4-amino-1-(4-ethoxyphenyl)pentan-1-one
CID 116571550
4-methyl-1-(4-propan-2-ylphenyl)pentan-1-one
CID 43625084
3-[bis(3-methylbutyl)amino]-1-(4-methoxyphenyl)propan-1-one
CID 71671663
4-(4-methylpentoxy)benzoic acid
CID 22645282
3-methoxy-1-[4-(2-methylpropoxy)phenyl]propan-1-one
CID 82050414
[4-[2-(dimethylamino)ethoxy]phenyl]-phenylmethanone;(4-hydroxyphenyl)-phenylmethanone
CID 159812426
3-(diethylamino)-1-(4-propoxyphenyl)propan-1-one
CID 3056738
3-methylbutyl 2-(4-propanoylphenoxy)acetate
CID 86914486

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-(dimethylamino)ethoxy]phenyl]-4-methylpentan-1-one?
The IUPAC name of 1-[4-[2-(dimethylamino)ethoxy]phenyl]-4-methylpentan-1-one (CID 138635015) is 1-[4-[2-(dimethylamino)ethoxy]phenyl]-4-methylpentan-1-one.
What is the SMILES notation for 1-[4-[2-(dimethylamino)ethoxy]phenyl]-4-methylpentan-1-one?
The canonical SMILES for 1-[4-[2-(dimethylamino)ethoxy]phenyl]-4-methylpentan-1-one is CC(C)CCC(=O)c1ccc(OCCN(C)C)cc1.
What is the InChIKey of 1-[4-[2-(dimethylamino)ethoxy]phenyl]-4-methylpentan-1-one?
The InChIKey is LLJGWBDSXYMZNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-13(2)5-10-16(18)14-6-8-15(9-7-14)19-12-11-17(3)4/h6-9,13H,5,10-12H2,1-4H3.
What are the key properties of 1-[4-[2-(dimethylamino)ethoxy]phenyl]-4-methylpentan-1-one?
1-[4-[2-(dimethylamino)ethoxy]phenyl]-4-methylpentan-1-one has a molecular weight of 263.38 g/mol, XLogP of 3.25, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-(dimethylamino)ethoxy]phenyl]-4-methylpentan-1-one is sourced from PubChem (CID 138635015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).