5-amino-4-methyl-1-(4-methylphenyl)pentan-2-one

C13H19NO — CID 116596617

IUPAC5-amino-4-methyl-1-(4-methylphenyl)pentan-2-one
SMILESCc1ccc(CC(=O)CC(C)CN)cc1
InChIInChI=1S/C13H19NO/c1-10-3-5-12(6-4-10)8-13(15)7-11(2)9-14/h3-6,11H,7-9,14H2,1-2H3
InChIKeyPJNIFJAQMJWJLV-UHFFFAOYSA-N
MW205.30 g/mol
LogP2.09
Rot. Bonds5

About 5-amino-4-methyl-1-(4-methylphenyl)pentan-2-one

5-amino-4-methyl-1-(4-methylphenyl)pentan-2-one (PubChem CID 116596617) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is 5-amino-4-methyl-1-(4-methylphenyl)pentan-2-one.

Molecular Properties

Compound Name5-amino-4-methyl-1-(4-methylphenyl)pentan-2-one
PubChem CID116596617
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name5-amino-4-methyl-1-(4-methylphenyl)pentan-2-one
SMILESCc1ccc(CC(=O)CC(C)CN)cc1
InChIInChI=1S/C13H19NO/c1-10-3-5-12(6-4-10)8-13(15)7-11(2)9-14/h3-6,11H,7-9,14H2,1-2H3
InChIKeyPJNIFJAQMJWJLV-UHFFFAOYSA-N
XLogP2.09
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1,5-bis(4-methylphenyl)pentane-2,4-dione
CID 158369503
1-(4-methylphenyl)-3-[4-(2-methylpropyl)phenyl]propan-2-one
CID 159697261
N-(5-amino-4-methylpentyl)-2-(4-methylphenyl)acetamide
CID 114150778
1-(4-methylphenyl)-3-propan-2-ylsulfanylpropan-2-one
CID 65134686
1-(4-fluorophenyl)-4-methylheptan-2-one
CID 62622075
1-(4-ethylphenyl)-3-(4-methylphenyl)propan-2-one
CID 55061865
4-amino-3-methyl-1-(4-methylphenyl)pentan-2-one
CID 116612281
4-amino-1-(4-hydroxyphenyl)pentan-2-one
CID 116555956
6-amino-5-methyl-1-phenylhexan-3-one
CID 116596581
6-amino-5-methyl-1-phenylhexan-2-one
CID 116607418
1-(4-tert-butylphenyl)-3-(4-methylphenyl)propan-2-one
CID 63409816
ethane;1-(4-methylphenyl)pentane-2,4-dione
CID 142280927

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-methyl-1-(4-methylphenyl)pentan-2-one?
The IUPAC name of 5-amino-4-methyl-1-(4-methylphenyl)pentan-2-one (CID 116596617) is 5-amino-4-methyl-1-(4-methylphenyl)pentan-2-one.
What is the SMILES notation for 5-amino-4-methyl-1-(4-methylphenyl)pentan-2-one?
The canonical SMILES for 5-amino-4-methyl-1-(4-methylphenyl)pentan-2-one is Cc1ccc(CC(=O)CC(C)CN)cc1.
What is the InChIKey of 5-amino-4-methyl-1-(4-methylphenyl)pentan-2-one?
The InChIKey is PJNIFJAQMJWJLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO/c1-10-3-5-12(6-4-10)8-13(15)7-11(2)9-14/h3-6,11H,7-9,14H2,1-2H3.
What are the key properties of 5-amino-4-methyl-1-(4-methylphenyl)pentan-2-one?
5-amino-4-methyl-1-(4-methylphenyl)pentan-2-one has a molecular weight of 205.30 g/mol, XLogP of 2.09, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-methyl-1-(4-methylphenyl)pentan-2-one is sourced from PubChem (CID 116596617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).