5-[(4-ethylphenyl)methyl-methylamino]pentan-2-one

C15H23NO — CID 115236560

IUPAC5-[(4-ethylphenyl)methyl-methylamino]pentan-2-one
SMILESCCc1ccc(CN(C)CCCC(C)=O)cc1
InChIInChI=1S/C15H23NO/c1-4-14-7-9-15(10-8-14)12-16(3)11-5-6-13(2)17/h7-10H,4-6,11-12H2,1-3H3
InChIKeySKMMJBAJRUNZCG-UHFFFAOYSA-N
MW233.35 g/mol
LogP3.05
Rot. Bonds7

About 5-[(4-ethylphenyl)methyl-methylamino]pentan-2-one

5-[(4-ethylphenyl)methyl-methylamino]pentan-2-one (PubChem CID 115236560) has the molecular formula C15H23NO and a molecular weight of 233.35 g/mol. Its IUPAC name is 5-[(4-ethylphenyl)methyl-methylamino]pentan-2-one.

Molecular Properties

Compound Name5-[(4-ethylphenyl)methyl-methylamino]pentan-2-one
PubChem CID115236560
Molecular FormulaC15H23NO
Molecular Weight233.35 g/mol
Exact Mass233.18
IUPAC Name5-[(4-ethylphenyl)methyl-methylamino]pentan-2-one
SMILESCCc1ccc(CN(C)CCCC(C)=O)cc1
InChIInChI=1S/C15H23NO/c1-4-14-7-9-15(10-8-14)12-16(3)11-5-6-13(2)17/h7-10H,4-6,11-12H2,1-3H3
InChIKeySKMMJBAJRUNZCG-UHFFFAOYSA-N
XLogP3.05
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 ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-[methyl-[(4-propylphenyl)methyl]amino]pentan-2-one
CID 115236578
6-[(4-fluorophenyl)methyl-methylamino]hexan-2-one
CID 62029803
6-[methyl-[(4-methylphenyl)methyl]amino]hexan-2-one
CID 62050969
5-[(5-ethyl-2-methoxyphenyl)methyl-methylamino]pentan-2-one
CID 115236595
3-chloro-N-[(4-ethylphenyl)methyl]-N-methylpropan-1-amine
CID 115215688
methyl 3-[(4-ethylphenyl)methyl-methylamino]propanoate
CID 60648146
5-[[methyl(4-oxopentyl)amino]methyl]-1,3-dihydrobenzimidazol-2-one
CID 115236618
5-[(2,5-difluorophenyl)methyl-methylamino]pentan-2-one
CID 115236590
5-[(4-ethoxy-3-fluorophenyl)methyl-methylamino]pentan-2-one
CID 115236597
6-[methyl-[(4-methylphenyl)methyl]amino]hexan-3-one
CID 106801306
4-[(4-hydroxyphenyl)methyl-methylamino]butanoic acid
CID 65068076
4-[(4-chlorophenyl)methyl-methylamino]butanamide
CID 14627807

Frequently Asked Questions

What is the IUPAC name of 5-[(4-ethylphenyl)methyl-methylamino]pentan-2-one?
The IUPAC name of 5-[(4-ethylphenyl)methyl-methylamino]pentan-2-one (CID 115236560) is 5-[(4-ethylphenyl)methyl-methylamino]pentan-2-one.
What is the SMILES notation for 5-[(4-ethylphenyl)methyl-methylamino]pentan-2-one?
The canonical SMILES for 5-[(4-ethylphenyl)methyl-methylamino]pentan-2-one is CCc1ccc(CN(C)CCCC(C)=O)cc1.
What is the InChIKey of 5-[(4-ethylphenyl)methyl-methylamino]pentan-2-one?
The InChIKey is SKMMJBAJRUNZCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-4-14-7-9-15(10-8-14)12-16(3)11-5-6-13(2)17/h7-10H,4-6,11-12H2,1-3H3.
What are the key properties of 5-[(4-ethylphenyl)methyl-methylamino]pentan-2-one?
5-[(4-ethylphenyl)methyl-methylamino]pentan-2-one has a molecular weight of 233.35 g/mol, XLogP of 3.05, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-ethylphenyl)methyl-methylamino]pentan-2-one is sourced from PubChem (CID 115236560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).