1-(4-amino-3-methylphenyl)-2-(2,6-dimethylphenyl)ethanone

C17H19NO — CID 116553942

IUPAC1-(4-amino-3-methylphenyl)-2-(2,6-dimethylphenyl)ethanone
SMILESCc1cc(C(=O)Cc2c(C)cccc2C)ccc1N
InChIInChI=1S/C17H19NO/c1-11-5-4-6-12(2)15(11)10-17(19)14-7-8-16(18)13(3)9-14/h4-9H,10,18H2,1-3H3
InChIKeyMCBUTBXBAQCVEO-UHFFFAOYSA-N
MW253.34 g/mol
LogP3.62
Rot. Bonds3

About 1-(4-amino-3-methylphenyl)-2-(2,6-dimethylphenyl)ethanone

1-(4-amino-3-methylphenyl)-2-(2,6-dimethylphenyl)ethanone (PubChem CID 116553942) has the molecular formula C17H19NO and a molecular weight of 253.34 g/mol. Its IUPAC name is 1-(4-amino-3-methylphenyl)-2-(2,6-dimethylphenyl)ethanone.

Molecular Properties

Compound Name1-(4-amino-3-methylphenyl)-2-(2,6-dimethylphenyl)ethanone
PubChem CID116553942
Molecular FormulaC17H19NO
Molecular Weight253.34 g/mol
Exact Mass253.15
IUPAC Name1-(4-amino-3-methylphenyl)-2-(2,6-dimethylphenyl)ethanone
SMILESCc1cc(C(=O)Cc2c(C)cccc2C)ccc1N
InChIInChI=1S/C17H19NO/c1-11-5-4-6-12(2)15(11)10-17(19)14-7-8-16(18)13(3)9-14/h4-9H,10,18H2,1-3H3
InChIKeyMCBUTBXBAQCVEO-UHFFFAOYSA-N
XLogP3.62
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-(2-amino-5-bromophenyl)-2-(2,6-dimethylphenyl)ethanone
CID 82703996
1-(3-amino-4-methylphenyl)-2-(2,6-dichlorophenyl)ethanone
CID 116550897
1-(4-amino-3-methylphenyl)-2-(5-bromothiophen-2-yl)ethanone
CID 116553879
2-(2,6-dimethylphenyl)-1-(1,2,3,4-tetrahydroisoquinolin-7-yl)ethanone
CID 116609302
1-(4-amino-3-methylphenyl)-2-(1-benzothiophen-3-yl)ethanone
CID 116553925
(4-amino-3-methylphenyl)-(2-fluoro-3-methylphenyl)methanone
CID 81478857
1-(4-amino-3-methylphenyl)-2-(5-ethyl-2-pyridinyl)ethanone
CID 116553891
4-amino-3-methyl-N-oxobenzamide
CID 89119624
(2-fluoro-3-methoxyphenyl)methyl 4-amino-3-methylbenzoate
CID 104794363
2-methylaniline;terephthalic acid
CID 174605990
1-(4-amino-3-methylphenyl)-3-ethylheptan-1-one
CID 116553874
1-(4-amino-3-methylphenyl)prop-2-en-1-one
CID 116553934

Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-3-methylphenyl)-2-(2,6-dimethylphenyl)ethanone?
The IUPAC name of 1-(4-amino-3-methylphenyl)-2-(2,6-dimethylphenyl)ethanone (CID 116553942) is 1-(4-amino-3-methylphenyl)-2-(2,6-dimethylphenyl)ethanone.
What is the SMILES notation for 1-(4-amino-3-methylphenyl)-2-(2,6-dimethylphenyl)ethanone?
The canonical SMILES for 1-(4-amino-3-methylphenyl)-2-(2,6-dimethylphenyl)ethanone is Cc1cc(C(=O)Cc2c(C)cccc2C)ccc1N.
What is the InChIKey of 1-(4-amino-3-methylphenyl)-2-(2,6-dimethylphenyl)ethanone?
The InChIKey is MCBUTBXBAQCVEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO/c1-11-5-4-6-12(2)15(11)10-17(19)14-7-8-16(18)13(3)9-14/h4-9H,10,18H2,1-3H3.
What are the key properties of 1-(4-amino-3-methylphenyl)-2-(2,6-dimethylphenyl)ethanone?
1-(4-amino-3-methylphenyl)-2-(2,6-dimethylphenyl)ethanone has a molecular weight of 253.34 g/mol, XLogP of 3.62, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-amino-3-methylphenyl)-2-(2,6-dimethylphenyl)ethanone is sourced from PubChem (CID 116553942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).