1-(2-amino-3,5-dimethylphenyl)-2-methylpropan-1-one

C12H17NO — CID 10797797

IUPAC1-(2-amino-3,5-dimethylphenyl)-2-methylpropan-1-one
SMILESCc1cc(C)c(N)c(C(=O)C(C)C)c1
InChIInChI=1S/C12H17NO/c1-7(2)12(14)10-6-8(3)5-9(4)11(10)13/h5-7H,13H2,1-4H3
InChIKeyPFSHJTOPOGXWOZ-UHFFFAOYSA-N
MW191.27 g/mol
LogP2.72
Rot. Bonds2

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

1-(2-amino-3,5-dimethylphenyl)-2-methylpropan-1-one (PubChem CID 10797797) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is 1-(2-amino-3,5-dimethylphenyl)-2-methylpropan-1-one.

Molecular Properties

Compound Name1-(2-amino-3,5-dimethylphenyl)-2-methylpropan-1-one
PubChem CID10797797
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Name1-(2-amino-3,5-dimethylphenyl)-2-methylpropan-1-one
SMILESCc1cc(C)c(N)c(C(=O)C(C)C)c1
InChIInChI=1S/C12H17NO/c1-7(2)12(14)10-6-8(3)5-9(4)11(10)13/h5-7H,13H2,1-4H3
InChIKeyPFSHJTOPOGXWOZ-UHFFFAOYSA-N
XLogP2.72
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 52.72
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

methyl 2-amino-3,5-dimethylbenzoate
CID 10702497
butan-2-yl 2-amino-3,5-dimethylbenzoate
CID 63112676
2,4-dimethyl-6-prop-1-en-2-ylaniline
CID 144506945
1-(2-amino-3,5-dimethylphenyl)ethanone;2,4-dimethyl-6-prop-1-en-2-ylaniline;ethane
CID 144506946
(2-amino-3,5-dimethylphenyl)-phenylmethanone
CID 70126178
cyclobutyl 2-amino-3,5-dimethylbenzoate
CID 63112719
cobalt;2,4,6-trimethylaniline
CID 159454360
(2R)-2-amino-1-(2,4,6-trimethylphenyl)propan-1-one
CID 868051
1-(2-acetyl-4-methylphenyl)-2-methylpropan-1-one
CID 177054489
2-ethoxyethyl 2-amino-3,5-dimethylbenzoate
CID 55178460
2-amino-2-(2-amino-3,5-dimethylphenyl)acetic acid
CID 55297245
2-[(1Z,3E)-1-aminopenta-1,3-dien-3-yl]-4,6-dimethylaniline
CID 166676186

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-3,5-dimethylphenyl)-2-methylpropan-1-one?
The IUPAC name of 1-(2-amino-3,5-dimethylphenyl)-2-methylpropan-1-one (CID 10797797) is 1-(2-amino-3,5-dimethylphenyl)-2-methylpropan-1-one.
What is the SMILES notation for 1-(2-amino-3,5-dimethylphenyl)-2-methylpropan-1-one?
The canonical SMILES for 1-(2-amino-3,5-dimethylphenyl)-2-methylpropan-1-one is Cc1cc(C)c(N)c(C(=O)C(C)C)c1.
What is the InChIKey of 1-(2-amino-3,5-dimethylphenyl)-2-methylpropan-1-one?
The InChIKey is PFSHJTOPOGXWOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO/c1-7(2)12(14)10-6-8(3)5-9(4)11(10)13/h5-7H,13H2,1-4H3.
What are the key properties of 1-(2-amino-3,5-dimethylphenyl)-2-methylpropan-1-one?
1-(2-amino-3,5-dimethylphenyl)-2-methylpropan-1-one has a molecular weight of 191.27 g/mol, XLogP of 2.72, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-3,5-dimethylphenyl)-2-methylpropan-1-one is sourced from PubChem (CID 10797797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).