2-(4-aminophenyl)-4-methylpentan-3-one

C12H17NO — CID 130817118

IUPAC2-(4-aminophenyl)-4-methylpentan-3-one
SMILESCC(C)C(=O)C(C)c1ccc(N)cc1
InChIInChI=1S/C12H17NO/c1-8(2)12(14)9(3)10-4-6-11(13)7-5-10/h4-9H,13H2,1-3H3
InChIKeyUZBNQQBILAVCPD-UHFFFAOYSA-N
MW191.27 g/mol
LogP2.60
Rot. Bonds3

About 2-(4-aminophenyl)-4-methylpentan-3-one

2-(4-aminophenyl)-4-methylpentan-3-one (PubChem CID 130817118) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is 2-(4-aminophenyl)-4-methylpentan-3-one.

Molecular Properties

Compound Name2-(4-aminophenyl)-4-methylpentan-3-one
PubChem CID130817118
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Name2-(4-aminophenyl)-4-methylpentan-3-one
SMILESCC(C)C(=O)C(C)c1ccc(N)cc1
InChIInChI=1S/C12H17NO/c1-8(2)12(14)9(3)10-4-6-11(13)7-5-10/h4-9H,13H2,1-3H3
InChIKeyUZBNQQBILAVCPD-UHFFFAOYSA-N
XLogP2.60
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 52.60
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-(4-aminophenyl)propanoate
CID 3016109
(2S)-2-(4-hydroxyphenyl)-4-methylpentan-3-one
CID 86330548
3-(4-aminophenyl)-2-oxobutanoic acid
CID 58875209
2-(4-aminophenyl)pentan-3-one
CID 130817117
tert-butyl (2R)-2-(4-aminophenyl)propanoate
CID 177349025
2-methyl-4-[4-(trifluoromethoxy)phenyl]pentan-3-one
CID 79298920
3-(4-aminophenyl)-1-cyclopropylbutan-2-one
CID 21294076
1-(4-aminophenyl)ethylurea
CID 43298080
4-[4-(4-carboxyphenyl)-3-oxopentan-2-yl]benzoic acid
CID 67705641
1,1,5,5-tetrakis(4-aminophenyl)pentan-3-one
CID 174920568
methyl 4,4-bis(4-aminophenyl)-2-methylbutanoate
CID 70366477
2-[4-(1-carboxyethyl)phenyl]propanoic acid
CID 601009

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminophenyl)-4-methylpentan-3-one?
The IUPAC name of 2-(4-aminophenyl)-4-methylpentan-3-one (CID 130817118) is 2-(4-aminophenyl)-4-methylpentan-3-one.
What is the SMILES notation for 2-(4-aminophenyl)-4-methylpentan-3-one?
The canonical SMILES for 2-(4-aminophenyl)-4-methylpentan-3-one is CC(C)C(=O)C(C)c1ccc(N)cc1.
What is the InChIKey of 2-(4-aminophenyl)-4-methylpentan-3-one?
The InChIKey is UZBNQQBILAVCPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO/c1-8(2)12(14)9(3)10-4-6-11(13)7-5-10/h4-9H,13H2,1-3H3.
What are the key properties of 2-(4-aminophenyl)-4-methylpentan-3-one?
2-(4-aminophenyl)-4-methylpentan-3-one has a molecular weight of 191.27 g/mol, XLogP of 2.60, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminophenyl)-4-methylpentan-3-one is sourced from PubChem (CID 130817118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).