1-[3-(dimethylamino)phenyl]propan-1-one;hydrochloride

C11H16ClNO — CID 18686743

IUPAC1-[3-(dimethylamino)phenyl]propan-1-one;hydrochloride
SMILESCCC(=O)c1cccc(N(C)C)c1.Cl
InChIInChI=1S/C11H15NO.ClH/c1-4-11(13)9-6-5-7-10(8-9)12(2)3;/h5-8H,4H2,1-3H3;1H
InChIKeyCQXIEWRZWQDAQF-UHFFFAOYSA-N
MW213.71 g/mol
LogP2.77
Rot. Bonds3

About 1-[3-(dimethylamino)phenyl]propan-1-one;hydrochloride

1-[3-(dimethylamino)phenyl]propan-1-one;hydrochloride (PubChem CID 18686743) has the molecular formula C11H16ClNO and a molecular weight of 213.71 g/mol. Its IUPAC name is 1-[3-(dimethylamino)phenyl]propan-1-one;hydrochloride.

Molecular Properties

Compound Name1-[3-(dimethylamino)phenyl]propan-1-one;hydrochloride
PubChem CID18686743
Molecular FormulaC11H16ClNO
Molecular Weight213.71 g/mol
Exact Mass213.09
IUPAC Name1-[3-(dimethylamino)phenyl]propan-1-one;hydrochloride
SMILESCCC(=O)c1cccc(N(C)C)c1.Cl
InChIInChI=1S/C11H15NO.ClH/c1-4-11(13)9-6-5-7-10(8-9)12(2)3;/h5-8H,4H2,1-3H3;1H
InChIKeyCQXIEWRZWQDAQF-UHFFFAOYSA-N
XLogP2.77
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.71
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3-(dimethylamino)phenyl]butan-1-one
CID 67236885
[2-[3-(dimethylamino)phenyl]-2-oxoethyl]-dimethylsulfanium
CID 20792439
bis[3-(dimethylamino)phenyl]methanone
CID 14534104
1-[6-(dimethylamino)naphthalen-2-yl]propan-1-one;propane
CID 66749463
ethyl 5-[3-(dimethylamino)phenyl]-5-oxopentanoate
CID 24727630
2-(4-bromophenyl)-1-[3-(dimethylamino)phenyl]ethanone
CID 105078998
1-[3-(dimethylamino)phenyl]-4-phenylbutan-1-one
CID 105093194
N,N-dimethylmethanamine;1-phenylpropan-1-one
CID 174454319
3-(dimethylamino)benzoic acid;1H-pyrrole
CID 174771753
3-[(E)-hex-3-en-3-yl]-N,N-dimethylaniline
CID 143644212
2-(2,4-difluorophenyl)-1-[3-(dimethylamino)phenyl]ethanone
CID 105085149
[3-(dimethylamino)phenyl]-(3-propylphenyl)methanone
CID 105133978

Frequently Asked Questions

What is the IUPAC name of 1-[3-(dimethylamino)phenyl]propan-1-one;hydrochloride?
The IUPAC name of 1-[3-(dimethylamino)phenyl]propan-1-one;hydrochloride (CID 18686743) is 1-[3-(dimethylamino)phenyl]propan-1-one;hydrochloride.
What is the SMILES notation for 1-[3-(dimethylamino)phenyl]propan-1-one;hydrochloride?
The canonical SMILES for 1-[3-(dimethylamino)phenyl]propan-1-one;hydrochloride is CCC(=O)c1cccc(N(C)C)c1.Cl.
What is the InChIKey of 1-[3-(dimethylamino)phenyl]propan-1-one;hydrochloride?
The InChIKey is CQXIEWRZWQDAQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO.ClH/c1-4-11(13)9-6-5-7-10(8-9)12(2)3;/h5-8H,4H2,1-3H3;1H.
What are the key properties of 1-[3-(dimethylamino)phenyl]propan-1-one;hydrochloride?
1-[3-(dimethylamino)phenyl]propan-1-one;hydrochloride has a molecular weight of 213.71 g/mol, XLogP of 2.77, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(dimethylamino)phenyl]propan-1-one;hydrochloride is sourced from PubChem (CID 18686743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).