6-[methyl-[(4-methylphenyl)methyl]amino]hexan-3-one

C15H23NO — CID 106801306

IUPAC6-[methyl-[(4-methylphenyl)methyl]amino]hexan-3-one
SMILESCCC(=O)CCCN(C)Cc1ccc(C)cc1
InChIInChI=1S/C15H23NO/c1-4-15(17)6-5-11-16(3)12-14-9-7-13(2)8-10-14/h7-10H,4-6,11-12H2,1-3H3
InChIKeyWLHSIDVLVSUUBM-UHFFFAOYSA-N
MW233.35 g/mol
LogP3.19
Rot. Bonds7

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

6-[methyl-[(4-methylphenyl)methyl]amino]hexan-3-one (PubChem CID 106801306) has the molecular formula C15H23NO and a molecular weight of 233.35 g/mol. Its IUPAC name is 6-[methyl-[(4-methylphenyl)methyl]amino]hexan-3-one.

Molecular Properties

Compound Name6-[methyl-[(4-methylphenyl)methyl]amino]hexan-3-one
PubChem CID106801306
Molecular FormulaC15H23NO
Molecular Weight233.35 g/mol
Exact Mass233.18
IUPAC Name6-[methyl-[(4-methylphenyl)methyl]amino]hexan-3-one
SMILESCCC(=O)CCCN(C)Cc1ccc(C)cc1
InChIInChI=1S/C15H23NO/c1-4-15(17)6-5-11-16(3)12-14-9-7-13(2)8-10-14/h7-10H,4-6,11-12H2,1-3H3
InChIKeyWLHSIDVLVSUUBM-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 ≤ 500233.35
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

6-[methyl-[(4-methylphenyl)methyl]amino]hexan-2-one
CID 62050969
2-[methyl-[3-[methyl-[(4-methylphenyl)methyl]amino]propyl]amino]acetic acid
CID 155421471
methyl 3-[methyl-[(4-methylphenyl)methyl]amino]propanoate
CID 28830279
5-[(4-ethylphenyl)methyl-methylamino]pentan-2-one
CID 115236560
3-[(4-fluorophenyl)methyl-methylamino]-1-(4-methylphenyl)propan-1-one
CID 62612670
5-[methyl-[(4-propylphenyl)methyl]amino]pentan-2-one
CID 115236578
butane;N,N,N'-trimethyl-N'-[(4-methylphenyl)methyl]ethane-1,2-diamine
CID 145315457
4-[(4-hydroxyphenyl)methyl-methylamino]butanoic acid
CID 65068076
6-[methyl(pyridin-2-ylmethyl)amino]hexan-3-one
CID 106801322
[methyl-[(4-methylphenyl)methyl]amino]methanethiol
CID 115228025
4-[(4-chlorophenyl)methyl-methylamino]butanamide
CID 14627807
6-[(4-fluorophenyl)methyl-methylamino]hexan-2-one
CID 62029803

Frequently Asked Questions

What is the IUPAC name of 6-[methyl-[(4-methylphenyl)methyl]amino]hexan-3-one?
The IUPAC name of 6-[methyl-[(4-methylphenyl)methyl]amino]hexan-3-one (CID 106801306) is 6-[methyl-[(4-methylphenyl)methyl]amino]hexan-3-one.
What is the SMILES notation for 6-[methyl-[(4-methylphenyl)methyl]amino]hexan-3-one?
The canonical SMILES for 6-[methyl-[(4-methylphenyl)methyl]amino]hexan-3-one is CCC(=O)CCCN(C)Cc1ccc(C)cc1.
What is the InChIKey of 6-[methyl-[(4-methylphenyl)methyl]amino]hexan-3-one?
The InChIKey is WLHSIDVLVSUUBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-4-15(17)6-5-11-16(3)12-14-9-7-13(2)8-10-14/h7-10H,4-6,11-12H2,1-3H3.
What are the key properties of 6-[methyl-[(4-methylphenyl)methyl]amino]hexan-3-one?
6-[methyl-[(4-methylphenyl)methyl]amino]hexan-3-one has a molecular weight of 233.35 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-3-one is sourced from PubChem (CID 106801306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).