4-amino-1-(3,4-dimethylphenyl)-4-methylpentan-2-one

C14H21NO — CID 116581156

IUPAC4-amino-1-(3,4-dimethylphenyl)-4-methylpentan-2-one
SMILESCc1ccc(CC(=O)CC(C)(C)N)cc1C
InChIInChI=1S/C14H21NO/c1-10-5-6-12(7-11(10)2)8-13(16)9-14(3,4)15/h5-7H,8-9,15H2,1-4H3
InChIKeyYLWHPWAOIDNFQH-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.54
Rot. Bonds4

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

4-amino-1-(3,4-dimethylphenyl)-4-methylpentan-2-one (PubChem CID 116581156) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is 4-amino-1-(3,4-dimethylphenyl)-4-methylpentan-2-one.

Molecular Properties

Compound Name4-amino-1-(3,4-dimethylphenyl)-4-methylpentan-2-one
PubChem CID116581156
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name4-amino-1-(3,4-dimethylphenyl)-4-methylpentan-2-one
SMILESCc1ccc(CC(=O)CC(C)(C)N)cc1C
InChIInChI=1S/C14H21NO/c1-10-5-6-12(7-11(10)2)8-13(16)9-14(3,4)15/h5-7H,8-9,15H2,1-4H3
InChIKeyYLWHPWAOIDNFQH-UHFFFAOYSA-N
XLogP2.54
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-1-(3,4-dimethylphenyl)-3-methylbutan-2-one
CID 116560222
4-amino-1-(4-hydroxyphenyl)-4-methylpentan-2-one
CID 116581146
1-(3,4-dimethylphenyl)-5,5-dimethylhexan-2-one
CID 62901853
4-amino-1-(2,3-dihydro-1H-inden-5-yl)-4-methylpentan-2-one
CID 116581175
1-(3,4-dimethylphenyl)-5-methylhex-5-en-2-one
CID 114473536
1-(1-aminocyclopropyl)-2-(3,4-dimethylphenyl)ethanone
CID 116576667
4-amino-1-(2-methoxy-5-methylphenyl)-4-methylpentan-2-one
CID 116581195
1-(3,4-dimethylphenyl)-3-phenoxypropan-2-one
CID 62716544
1-anilino-3-(3,4-dimethylphenyl)propan-2-one
CID 116555415
4-amino-1-(3,4-dimethylphenyl)heptan-2-one
CID 116607937
1-(2-amino-1,3-thiazol-4-yl)-3-(3,4-dimethylphenyl)propan-2-one
CID 116575765
N-(2-amino-2-ethylbutyl)-2-(3,4-dimethylphenyl)acetamide
CID 81484732

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-(3,4-dimethylphenyl)-4-methylpentan-2-one?
The IUPAC name of 4-amino-1-(3,4-dimethylphenyl)-4-methylpentan-2-one (CID 116581156) is 4-amino-1-(3,4-dimethylphenyl)-4-methylpentan-2-one.
What is the SMILES notation for 4-amino-1-(3,4-dimethylphenyl)-4-methylpentan-2-one?
The canonical SMILES for 4-amino-1-(3,4-dimethylphenyl)-4-methylpentan-2-one is Cc1ccc(CC(=O)CC(C)(C)N)cc1C.
What is the InChIKey of 4-amino-1-(3,4-dimethylphenyl)-4-methylpentan-2-one?
The InChIKey is YLWHPWAOIDNFQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-10-5-6-12(7-11(10)2)8-13(16)9-14(3,4)15/h5-7H,8-9,15H2,1-4H3.
What are the key properties of 4-amino-1-(3,4-dimethylphenyl)-4-methylpentan-2-one?
4-amino-1-(3,4-dimethylphenyl)-4-methylpentan-2-one has a molecular weight of 219.33 g/mol, XLogP of 2.54, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-(3,4-dimethylphenyl)-4-methylpentan-2-one is sourced from PubChem (CID 116581156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).