6-amino-1-(3,4-dimethylphenyl)-4-methylhexan-1-one

C15H23NO — CID 116581624

IUPAC6-amino-1-(3,4-dimethylphenyl)-4-methylhexan-1-one
SMILESCc1ccc(C(=O)CCC(C)CCN)cc1C
InChIInChI=1S/C15H23NO/c1-11(8-9-16)4-7-15(17)14-6-5-12(2)13(3)10-14/h5-6,10-11H,4,7-9,16H2,1-3H3
InChIKeyFWKQRDPQZYSCJB-UHFFFAOYSA-N
MW233.36 g/mol
LogP3.25
Rot. Bonds6

About 6-amino-1-(3,4-dimethylphenyl)-4-methylhexan-1-one

6-amino-1-(3,4-dimethylphenyl)-4-methylhexan-1-one (PubChem CID 116581624) has the molecular formula C15H23NO and a molecular weight of 233.36 g/mol. Its IUPAC name is 6-amino-1-(3,4-dimethylphenyl)-4-methylhexan-1-one.

Molecular Properties

Compound Name6-amino-1-(3,4-dimethylphenyl)-4-methylhexan-1-one
PubChem CID116581624
Molecular FormulaC15H23NO
Molecular Weight233.36 g/mol
Exact Mass233.18
IUPAC Name6-amino-1-(3,4-dimethylphenyl)-4-methylhexan-1-one
SMILESCc1ccc(C(=O)CCC(C)CCN)cc1C
InChIInChI=1S/C15H23NO/c1-11(8-9-16)4-7-15(17)14-6-5-12(2)13(3)10-14/h5-6,10-11H,4,7-9,16H2,1-3H3
InChIKeyFWKQRDPQZYSCJB-UHFFFAOYSA-N
XLogP3.25
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-amino-4-methyl-1-(3-methylphenyl)hexan-1-one
CID 116581619
5-amino-1-(3-fluoro-4-methylphenyl)-4-methylpentan-1-one
CID 107129842
4-amino-1-(3,4-dimethylphenyl)butan-1-one
CID 55267484
7-amino-1-(3,4-dimethylphenyl)heptan-1-one
CID 116551492
3-amino-1-(4-ethyl-3-methylphenyl)propan-1-one
CID 117282618
4-amino-1-(3-fluoro-4-methylphenyl)pentan-1-one
CID 107129738
N-(2-aminoethyl)-4-(3,4-dimethylphenyl)-4-oxobutanamide
CID 108796690
3-amino-1-(3-chloro-4-methylphenyl)propan-1-one
CID 107561222
4-(3,4-dimethylphenyl)-N-(4-hydroxy-2-methylpentyl)-4-oxobutanamide
CID 111447209
4-(2-aminoethyl)-1-(3-chloro-4-methylphenyl)heptan-1-one
CID 107561314
[(2R)-1-amino-1-oxopropan-2-yl] 4-(3,4-dimethylphenyl)-4-oxobutanoate
CID 9128552
5-(3,4-dimethylphenyl)-5-oxopentanenitrile
CID 82076500

Frequently Asked Questions

What is the IUPAC name of 6-amino-1-(3,4-dimethylphenyl)-4-methylhexan-1-one?
The IUPAC name of 6-amino-1-(3,4-dimethylphenyl)-4-methylhexan-1-one (CID 116581624) is 6-amino-1-(3,4-dimethylphenyl)-4-methylhexan-1-one.
What is the SMILES notation for 6-amino-1-(3,4-dimethylphenyl)-4-methylhexan-1-one?
The canonical SMILES for 6-amino-1-(3,4-dimethylphenyl)-4-methylhexan-1-one is Cc1ccc(C(=O)CCC(C)CCN)cc1C.
What is the InChIKey of 6-amino-1-(3,4-dimethylphenyl)-4-methylhexan-1-one?
The InChIKey is FWKQRDPQZYSCJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-11(8-9-16)4-7-15(17)14-6-5-12(2)13(3)10-14/h5-6,10-11H,4,7-9,16H2,1-3H3.
What are the key properties of 6-amino-1-(3,4-dimethylphenyl)-4-methylhexan-1-one?
6-amino-1-(3,4-dimethylphenyl)-4-methylhexan-1-one has a molecular weight of 233.36 g/mol, XLogP of 3.25, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-1-(3,4-dimethylphenyl)-4-methylhexan-1-one is sourced from PubChem (CID 116581624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).