6-amino-4-methyl-1-(3-methylphenyl)hexan-1-one

C14H21NO — CID 116581619

IUPAC6-amino-4-methyl-1-(3-methylphenyl)hexan-1-one
SMILESCc1cccc(C(=O)CCC(C)CCN)c1
InChIInChI=1S/C14H21NO/c1-11(8-9-15)6-7-14(16)13-5-3-4-12(2)10-13/h3-5,10-11H,6-9,15H2,1-2H3
InChIKeyDWGDZBCBKTYHEL-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.94
Rot. Bonds6

About 6-amino-4-methyl-1-(3-methylphenyl)hexan-1-one

6-amino-4-methyl-1-(3-methylphenyl)hexan-1-one (PubChem CID 116581619) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is 6-amino-4-methyl-1-(3-methylphenyl)hexan-1-one.

Molecular Properties

Compound Name6-amino-4-methyl-1-(3-methylphenyl)hexan-1-one
PubChem CID116581619
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name6-amino-4-methyl-1-(3-methylphenyl)hexan-1-one
SMILESCc1cccc(C(=O)CCC(C)CCN)c1
InChIInChI=1S/C14H21NO/c1-11(8-9-15)6-7-14(16)13-5-3-4-12(2)10-13/h3-5,10-11H,6-9,15H2,1-2H3
InChIKeyDWGDZBCBKTYHEL-UHFFFAOYSA-N
XLogP2.94
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-amino-1-(3,4-dimethylphenyl)-4-methylhexan-1-one
CID 116581624
1-(3-methylphenyl)butan-1-one
CID 4304992
6-amino-1-(2,6-difluorophenyl)-4-methylhexan-1-one
CID 116581594
1-(3-methylphenyl)-3-sulfanylpropan-1-one
CID 116830819
4-(3-methylphenyl)-4-oxobutanoic acid
CID 2760002
3-(methylamino)-1-(3-methylphenyl)propan-1-one
CID 83695895
4-methyl-1-(3-methylphenyl)pent-4-en-1-one
CID 114473491
4-(2-aminoethyl)-1-(3,5-dimethylphenyl)-5-methylhexan-1-one
CID 116577810
1-(3-methylphenyl)-4-phenylbutan-1-one
CID 54171094
5-amino-1-(3-fluoro-4-methylphenyl)-4-methylpentan-1-one
CID 107129842
6-amino-5-methyl-1-(3-methylphenyl)hexan-2-one
CID 116607590
ethyl 6-(3-methylphenyl)-6-oxohexanoate
CID 24727324

Frequently Asked Questions

What is the IUPAC name of 6-amino-4-methyl-1-(3-methylphenyl)hexan-1-one?
The IUPAC name of 6-amino-4-methyl-1-(3-methylphenyl)hexan-1-one (CID 116581619) is 6-amino-4-methyl-1-(3-methylphenyl)hexan-1-one.
What is the SMILES notation for 6-amino-4-methyl-1-(3-methylphenyl)hexan-1-one?
The canonical SMILES for 6-amino-4-methyl-1-(3-methylphenyl)hexan-1-one is Cc1cccc(C(=O)CCC(C)CCN)c1.
What is the InChIKey of 6-amino-4-methyl-1-(3-methylphenyl)hexan-1-one?
The InChIKey is DWGDZBCBKTYHEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-11(8-9-15)6-7-14(16)13-5-3-4-12(2)10-13/h3-5,10-11H,6-9,15H2,1-2H3.
What are the key properties of 6-amino-4-methyl-1-(3-methylphenyl)hexan-1-one?
6-amino-4-methyl-1-(3-methylphenyl)hexan-1-one has a molecular weight of 219.33 g/mol, XLogP of 2.94, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-4-methyl-1-(3-methylphenyl)hexan-1-one is sourced from PubChem (CID 116581619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).