1-[3,5-bis(methylamino)phenyl]propan-1-one

C11H16N2O — CID 59059856

IUPAC1-[3,5-bis(methylamino)phenyl]propan-1-one
SMILESCCC(=O)c1cc(NC)cc(NC)c1
InChIInChI=1S/C11H16N2O/c1-4-11(14)8-5-9(12-2)7-10(6-8)13-3/h5-7,12-13H,4H2,1-3H3
InChIKeyJFKDWMUBTRBWRH-UHFFFAOYSA-N
MW192.26 g/mol
LogP2.36
Rot. Bonds4

About 1-[3,5-bis(methylamino)phenyl]propan-1-one

1-[3,5-bis(methylamino)phenyl]propan-1-one (PubChem CID 59059856) has the molecular formula C11H16N2O and a molecular weight of 192.26 g/mol. Its IUPAC name is 1-[3,5-bis(methylamino)phenyl]propan-1-one.

Molecular Properties

Compound Name1-[3,5-bis(methylamino)phenyl]propan-1-one
PubChem CID59059856
Molecular FormulaC11H16N2O
Molecular Weight192.26 g/mol
Exact Mass192.13
IUPAC Name1-[3,5-bis(methylamino)phenyl]propan-1-one
SMILESCCC(=O)c1cc(NC)cc(NC)c1
InChIInChI=1S/C11H16N2O/c1-4-11(14)8-5-9(12-2)7-10(6-8)13-3/h5-7,12-13H,4H2,1-3H3
InChIKeyJFKDWMUBTRBWRH-UHFFFAOYSA-N
XLogP2.36
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

diethyl 5-(methylamino)benzene-1,3-dicarboxylate
CID 101449112
1-[3,5-bis(sulfanyl)phenyl]propan-1-one
CID 118852624
1-[3-methoxy-5-methyl-4-(methylamino)phenyl]propan-1-one
CID 129231374
1-(4-bromo-3,5-dimethylphenyl)propan-1-one
CID 114329578
3-(methylamino)-5-(2-oxobutanimidoyl)benzoic acid
CID 174487691
3-(methylamino)-5-(propan-2-ylamino)benzoic acid
CID 129261786
1-(3-bromophenyl)propan-1-one;ethane
CID 145351715
3-acetyl-5-(methylamino)benzamide
CID 143405915
1-(4-hydroxy-3,5-dipropylphenyl)propan-1-one
CID 11310872
1-(3-amino-5-methylphenyl)propan-1-one
CID 123760774
N,3-dimethyl-5-(methylamino)benzamide
CID 88971249
(4-propanoylphenyl)carbamic acid
CID 122623771

Frequently Asked Questions

What is the IUPAC name of 1-[3,5-bis(methylamino)phenyl]propan-1-one?
The IUPAC name of 1-[3,5-bis(methylamino)phenyl]propan-1-one (CID 59059856) is 1-[3,5-bis(methylamino)phenyl]propan-1-one.
What is the SMILES notation for 1-[3,5-bis(methylamino)phenyl]propan-1-one?
The canonical SMILES for 1-[3,5-bis(methylamino)phenyl]propan-1-one is CCC(=O)c1cc(NC)cc(NC)c1.
What is the InChIKey of 1-[3,5-bis(methylamino)phenyl]propan-1-one?
The InChIKey is JFKDWMUBTRBWRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O/c1-4-11(14)8-5-9(12-2)7-10(6-8)13-3/h5-7,12-13H,4H2,1-3H3.
What are the key properties of 1-[3,5-bis(methylamino)phenyl]propan-1-one?
1-[3,5-bis(methylamino)phenyl]propan-1-one has a molecular weight of 192.26 g/mol, XLogP of 2.36, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3,5-bis(methylamino)phenyl]propan-1-one is sourced from PubChem (CID 59059856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).