1-[4-[2-(dimethylamino)ethoxy]phenyl]propan-2-one;hydrochloride

C13H20ClNO2 — CID 3079549

IUPAC1-[4-[2-(dimethylamino)ethoxy]phenyl]propan-2-one;hydrochloride
SMILESCC(=O)Cc1ccc(OCCN(C)C)cc1.Cl
InChIInChI=1S/C13H19NO2.ClH/c1-11(15)10-12-4-6-13(7-5-12)16-9-8-14(2)3;/h4-7H,8-10H2,1-3H3;1H
InChIKeyCVYMSSWJPQAARK-UHFFFAOYSA-N
MW257.76 g/mol
LogP2.18
Rot. Bonds6

About 1-[4-[2-(dimethylamino)ethoxy]phenyl]propan-2-one;hydrochloride

1-[4-[2-(dimethylamino)ethoxy]phenyl]propan-2-one;hydrochloride (PubChem CID 3079549) has the molecular formula C13H20ClNO2 and a molecular weight of 257.76 g/mol. Its IUPAC name is 1-[4-[2-(dimethylamino)ethoxy]phenyl]propan-2-one;hydrochloride.

Molecular Properties

Compound Name1-[4-[2-(dimethylamino)ethoxy]phenyl]propan-2-one;hydrochloride
PubChem CID3079549
Molecular FormulaC13H20ClNO2
Molecular Weight257.76 g/mol
Exact Mass257.12
IUPAC Name1-[4-[2-(dimethylamino)ethoxy]phenyl]propan-2-one;hydrochloride
SMILESCC(=O)Cc1ccc(OCCN(C)C)cc1.Cl
InChIInChI=1S/C13H19NO2.ClH/c1-11(15)10-12-4-6-13(7-5-12)16-9-8-14(2)3;/h4-7H,8-10H2,1-3H3;1H
InChIKeyCVYMSSWJPQAARK-UHFFFAOYSA-N
XLogP2.18
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.76
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-[2-(dimethylamino)ethoxy]phenyl]ethanol
CID 83390498
N-[2-[4-(2-oxopropyl)phenoxy]ethyl]acetamide
CID 70467709
2-[4-[(Z)-1,3-bis(4-chlorophenyl)-2-methylprop-1-enyl]phenoxy]-N,N-dimethylethanamine
CID 162640325
1-[4-(ethoxymethoxy)phenyl]propan-2-one
CID 115495404
2-[4-[2-(4-methoxyphenyl)ethyl]phenoxy]-N,N-dimethylethanamine
CID 171715461
[4-[2-[4-[2-(dimethylamino)ethoxy]phenyl]ethynyl]phenyl]methanol
CID 171661609
N-[2-[4-(2-oxopropyl)phenoxy]ethyl]methanesulfonamide
CID 70468040
1-[4-[2-(trifluoromethylsulfanyl)ethoxy]phenyl]propan-2-one
CID 116615978
1-[4-(2-propan-2-ylsulfonylethoxy)phenyl]propan-2-one
CID 106725005
(NE)-N-[4-[4-[2-(dimethylamino)ethoxy]phenyl]butan-2-ylidene]hydroxylamine
CID 24707329
3-amino-N-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]-2-methylbutanamide;dihydrochloride
CID 120502855
1-[4-[2-(3,5-dimethyl-2H-pyrrol-4-yl)ethoxy]phenyl]propan-2-one
CID 144523736

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-(dimethylamino)ethoxy]phenyl]propan-2-one;hydrochloride?
The IUPAC name of 1-[4-[2-(dimethylamino)ethoxy]phenyl]propan-2-one;hydrochloride (CID 3079549) is 1-[4-[2-(dimethylamino)ethoxy]phenyl]propan-2-one;hydrochloride.
What is the SMILES notation for 1-[4-[2-(dimethylamino)ethoxy]phenyl]propan-2-one;hydrochloride?
The canonical SMILES for 1-[4-[2-(dimethylamino)ethoxy]phenyl]propan-2-one;hydrochloride is CC(=O)Cc1ccc(OCCN(C)C)cc1.Cl.
What is the InChIKey of 1-[4-[2-(dimethylamino)ethoxy]phenyl]propan-2-one;hydrochloride?
The InChIKey is CVYMSSWJPQAARK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2.ClH/c1-11(15)10-12-4-6-13(7-5-12)16-9-8-14(2)3;/h4-7H,8-10H2,1-3H3;1H.
What are the key properties of 1-[4-[2-(dimethylamino)ethoxy]phenyl]propan-2-one;hydrochloride?
1-[4-[2-(dimethylamino)ethoxy]phenyl]propan-2-one;hydrochloride has a molecular weight of 257.76 g/mol, XLogP of 2.18, 6 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]propan-2-one;hydrochloride is sourced from PubChem (CID 3079549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).