1-[2-[2-(diethylamino)ethoxy]phenyl]propan-1-one;hydrobromide

C15H24BrNO2 — CID 117068814

IUPAC1-[2-[2-(diethylamino)ethoxy]phenyl]propan-1-one;hydrobromide
SMILESBr.CCC(=O)c1ccccc1OCCN(CC)CC
InChIInChI=1S/C15H23NO2.BrH/c1-4-14(17)13-9-7-8-10-15(13)18-12-11-16(5-2)6-3;/h7-10H,4-6,11-12H2,1-3H3;1H
InChIKeyLHKVPQBCSYFDBG-UHFFFAOYSA-N
MW330.27 g/mol
LogP3.58
Rot. Bonds8

About 1-[2-[2-(diethylamino)ethoxy]phenyl]propan-1-one;hydrobromide

1-[2-[2-(diethylamino)ethoxy]phenyl]propan-1-one;hydrobromide (PubChem CID 117068814) has the molecular formula C15H24BrNO2 and a molecular weight of 330.27 g/mol. Its IUPAC name is 1-[2-[2-(diethylamino)ethoxy]phenyl]propan-1-one;hydrobromide.

Molecular Properties

Compound Name1-[2-[2-(diethylamino)ethoxy]phenyl]propan-1-one;hydrobromide
PubChem CID117068814
Molecular FormulaC15H24BrNO2
Molecular Weight330.27 g/mol
Exact Mass329.10
IUPAC Name1-[2-[2-(diethylamino)ethoxy]phenyl]propan-1-one;hydrobromide
SMILESBr.CCC(=O)c1ccccc1OCCN(CC)CC
InChIInChI=1S/C15H23NO2.BrH/c1-4-14(17)13-9-7-8-10-15(13)18-12-11-16(5-2)6-3;/h7-10H,4-6,11-12H2,1-3H3;1H
InChIKeyLHKVPQBCSYFDBG-UHFFFAOYSA-N
XLogP3.58
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.27
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 30287
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1-[2-(methoxymethoxy)phenyl]propan-1-one
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1-[2-[2-[bis(2-chloroethyl)amino]ethoxy]phenyl]butan-1-one
CID 3788085
2-[2-[ethyl(2-hydroxyethyl)amino]ethoxy]benzohydrazide
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1-(2-pent-4-ynoxyphenyl)propan-1-one
CID 115870719
2-[2-[butyl(ethyl)amino]ethoxy]benzohydrazide
CID 63569772
[2-[2-(diethylamino)ethoxy]phenyl]boronic acid
CID 43145279
2-[2-(2-carbamothioylphenoxy)ethyl-ethylamino]-N,N-dimethylacetamide
CID 61448716
1-[2-(2,2-difluoroethoxy)phenyl]propan-1-one
CID 60921638
2-[2-(diethylamino)ethoxy]-N-(2-phenoxyphenyl)benzamide;hydron;chloride
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Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-(diethylamino)ethoxy]phenyl]propan-1-one;hydrobromide?
The IUPAC name of 1-[2-[2-(diethylamino)ethoxy]phenyl]propan-1-one;hydrobromide (CID 117068814) is 1-[2-[2-(diethylamino)ethoxy]phenyl]propan-1-one;hydrobromide.
What is the SMILES notation for 1-[2-[2-(diethylamino)ethoxy]phenyl]propan-1-one;hydrobromide?
The canonical SMILES for 1-[2-[2-(diethylamino)ethoxy]phenyl]propan-1-one;hydrobromide is Br.CCC(=O)c1ccccc1OCCN(CC)CC.
What is the InChIKey of 1-[2-[2-(diethylamino)ethoxy]phenyl]propan-1-one;hydrobromide?
The InChIKey is LHKVPQBCSYFDBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2.BrH/c1-4-14(17)13-9-7-8-10-15(13)18-12-11-16(5-2)6-3;/h7-10H,4-6,11-12H2,1-3H3;1H.
What are the key properties of 1-[2-[2-(diethylamino)ethoxy]phenyl]propan-1-one;hydrobromide?
1-[2-[2-(diethylamino)ethoxy]phenyl]propan-1-one;hydrobromide has a molecular weight of 330.27 g/mol, XLogP of 3.58, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-(diethylamino)ethoxy]phenyl]propan-1-one;hydrobromide is sourced from PubChem (CID 117068814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).