6-[methyl-[(4-methylphenyl)methyl]amino]hexan-2-one

C15H23NO — CID 62050969

IUPAC6-[methyl-[(4-methylphenyl)methyl]amino]hexan-2-one
SMILESCC(=O)CCCCN(C)Cc1ccc(C)cc1
InChIInChI=1S/C15H23NO/c1-13-7-9-15(10-8-13)12-16(3)11-5-4-6-14(2)17/h7-10H,4-6,11-12H2,1-3H3
InChIKeyPPVXOBSARCJKAJ-UHFFFAOYSA-N
MW233.36 g/mol
LogP3.19
Rot. Bonds7

About 6-[methyl-[(4-methylphenyl)methyl]amino]hexan-2-one

6-[methyl-[(4-methylphenyl)methyl]amino]hexan-2-one (PubChem CID 62050969) has the molecular formula C15H23NO and a molecular weight of 233.36 g/mol. Its IUPAC name is 6-[methyl-[(4-methylphenyl)methyl]amino]hexan-2-one.

Molecular Properties

Compound Name6-[methyl-[(4-methylphenyl)methyl]amino]hexan-2-one
PubChem CID62050969
Molecular FormulaC15H23NO
Molecular Weight233.36 g/mol
Exact Mass233.18
IUPAC Name6-[methyl-[(4-methylphenyl)methyl]amino]hexan-2-one
SMILESCC(=O)CCCCN(C)Cc1ccc(C)cc1
InChIInChI=1S/C15H23NO/c1-13-7-9-15(10-8-13)12-16(3)11-5-4-6-14(2)17/h7-10H,4-6,11-12H2,1-3H3
InChIKeyPPVXOBSARCJKAJ-UHFFFAOYSA-N
XLogP3.19
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-[(4-fluorophenyl)methyl-methylamino]hexan-2-one
CID 62029803
5-[(4-ethylphenyl)methyl-methylamino]pentan-2-one
CID 115236560
5-[methyl-[(4-propylphenyl)methyl]amino]pentan-2-one
CID 115236578
6-[methyl-[(4-methylphenyl)methyl]amino]hexan-3-one
CID 106801306
2-[methyl-[3-[methyl-[(4-methylphenyl)methyl]amino]propyl]amino]acetic acid
CID 155421471
methyl 3-[methyl-[(4-methylphenyl)methyl]amino]propanoate
CID 28830279
methane;5-(4-methylphenyl)pentan-2-one
CID 159376155
5-[benzyl(methyl)amino]pentanoic acid
CID 28972352
3-[(4-fluorophenyl)methyl-methylamino]-1-(4-methylphenyl)propan-1-one
CID 62612670
2-[5-hydroxypentyl(methyl)amino]-N-methyl-N-[(4-methylphenyl)methyl]acetamide
CID 107204065
5-[[methyl(4-oxopentyl)amino]methyl]-1,3-dihydrobenzimidazol-2-one
CID 115236618
4-[methyl-[(3-methylphenyl)methyl]amino]butan-2-one
CID 62031141

Frequently Asked Questions

What is the IUPAC name of 6-[methyl-[(4-methylphenyl)methyl]amino]hexan-2-one?
The IUPAC name of 6-[methyl-[(4-methylphenyl)methyl]amino]hexan-2-one (CID 62050969) is 6-[methyl-[(4-methylphenyl)methyl]amino]hexan-2-one.
What is the SMILES notation for 6-[methyl-[(4-methylphenyl)methyl]amino]hexan-2-one?
The canonical SMILES for 6-[methyl-[(4-methylphenyl)methyl]amino]hexan-2-one is CC(=O)CCCCN(C)Cc1ccc(C)cc1.
What is the InChIKey of 6-[methyl-[(4-methylphenyl)methyl]amino]hexan-2-one?
The InChIKey is PPVXOBSARCJKAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-13-7-9-15(10-8-13)12-16(3)11-5-4-6-14(2)17/h7-10H,4-6,11-12H2,1-3H3.
What are the key properties of 6-[methyl-[(4-methylphenyl)methyl]amino]hexan-2-one?
6-[methyl-[(4-methylphenyl)methyl]amino]hexan-2-one has a molecular weight of 233.36 g/mol, XLogP of 3.19, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[methyl-[(4-methylphenyl)methyl]amino]hexan-2-one is sourced from PubChem (CID 62050969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).