1-(4-amino-3,5-dimethylphenyl)propan-2-one

C11H15NO — CID 84767449

IUPAC1-(4-amino-3,5-dimethylphenyl)propan-2-one
SMILESCC(=O)Cc1cc(C)c(N)c(C)c1
InChIInChI=1S/C11H15NO/c1-7-4-10(6-9(3)13)5-8(2)11(7)12/h4-5H,6,12H2,1-3H3
InChIKeyUUMPIXDSERDMJN-UHFFFAOYSA-N
MW177.25 g/mol
LogP2.02
Rot. Bonds2

About 1-(4-amino-3,5-dimethylphenyl)propan-2-one

1-(4-amino-3,5-dimethylphenyl)propan-2-one (PubChem CID 84767449) has the molecular formula C11H15NO and a molecular weight of 177.25 g/mol. Its IUPAC name is 1-(4-amino-3,5-dimethylphenyl)propan-2-one.

Molecular Properties

Compound Name1-(4-amino-3,5-dimethylphenyl)propan-2-one
PubChem CID84767449
Molecular FormulaC11H15NO
Molecular Weight177.25 g/mol
Exact Mass177.12
IUPAC Name1-(4-amino-3,5-dimethylphenyl)propan-2-one
SMILESCC(=O)Cc1cc(C)c(N)c(C)c1
InChIInChI=1S/C11H15NO/c1-7-4-10(6-9(3)13)5-8(2)11(7)12/h4-5H,6,12H2,1-3H3
InChIKeyUUMPIXDSERDMJN-UHFFFAOYSA-N
XLogP2.02
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 52.02
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-(4-chloro-3,5-dimethylphenyl)propan-2-one
CID 84774110
1-(4-amino-3,5-dimethylphenyl)-3,3-dimethylbutan-2-one
CID 101046615
2-(4-amino-3,5-dimethylphenyl)ethanethioamide
CID 174722251
2-(3,4-diamino-5-methylphenyl)acetic acid
CID 171013665
1-[4-methyl-3,5-bis(2-oxopropyl)phenyl]propan-2-one
CID 66898502
1-[3-amino-5-(chloromethyl)phenyl]propan-2-one
CID 131010312
1-(4-bromo-3-methoxy-5-methylphenyl)propan-2-one
CID 84805482
1-(3,4,5-trihydroxyphenyl)propan-2-one
CID 55250541
1-[4-(bromomethyl)-3-methylphenyl]propan-2-one
CID 131190669
4-[(4-amino-3,5-diethylphenyl)methyl]-2-ethyl-6-methylaniline;4-[(4-amino-3,5-dimethylphenyl)methyl]-2,6-dimethylaniline;4-[(4-amino-3-ethyl-5-methylphenyl)methyl]-2-ethyl-6-methylaniline
CID 158632790
2-(4-acetyl-3-amino-5-methylphenyl)acetic acid
CID 54067332
3-(4-amino-3,5-dimethylphenyl)propan-1-ol
CID 22472438

Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-3,5-dimethylphenyl)propan-2-one?
The IUPAC name of 1-(4-amino-3,5-dimethylphenyl)propan-2-one (CID 84767449) is 1-(4-amino-3,5-dimethylphenyl)propan-2-one.
What is the SMILES notation for 1-(4-amino-3,5-dimethylphenyl)propan-2-one?
The canonical SMILES for 1-(4-amino-3,5-dimethylphenyl)propan-2-one is CC(=O)Cc1cc(C)c(N)c(C)c1.
What is the InChIKey of 1-(4-amino-3,5-dimethylphenyl)propan-2-one?
The InChIKey is UUMPIXDSERDMJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO/c1-7-4-10(6-9(3)13)5-8(2)11(7)12/h4-5H,6,12H2,1-3H3.
What are the key properties of 1-(4-amino-3,5-dimethylphenyl)propan-2-one?
1-(4-amino-3,5-dimethylphenyl)propan-2-one has a molecular weight of 177.25 g/mol, XLogP of 2.02, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-amino-3,5-dimethylphenyl)propan-2-one is sourced from PubChem (CID 84767449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).