5-[methyl-[(4-propylphenyl)methyl]amino]pentan-2-one

C16H25NO — CID 115236578

IUPAC5-[methyl-[(4-propylphenyl)methyl]amino]pentan-2-one
SMILESCCCc1ccc(CN(C)CCCC(C)=O)cc1
InChIInChI=1S/C16H25NO/c1-4-6-15-8-10-16(11-9-15)13-17(3)12-5-7-14(2)18/h8-11H,4-7,12-13H2,1-3H3
InChIKeyOCMUQISVGICWCR-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.44
Rot. Bonds8

About 5-[methyl-[(4-propylphenyl)methyl]amino]pentan-2-one

5-[methyl-[(4-propylphenyl)methyl]amino]pentan-2-one (PubChem CID 115236578) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is 5-[methyl-[(4-propylphenyl)methyl]amino]pentan-2-one.

Molecular Properties

Compound Name5-[methyl-[(4-propylphenyl)methyl]amino]pentan-2-one
PubChem CID115236578
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name5-[methyl-[(4-propylphenyl)methyl]amino]pentan-2-one
SMILESCCCc1ccc(CN(C)CCCC(C)=O)cc1
InChIInChI=1S/C16H25NO/c1-4-6-15-8-10-16(11-9-15)13-17(3)12-5-7-14(2)18/h8-11H,4-7,12-13H2,1-3H3
InChIKeyOCMUQISVGICWCR-UHFFFAOYSA-N
XLogP3.44
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-[(4-ethylphenyl)methyl-methylamino]pentan-2-one
CID 115236560
6-[(4-fluorophenyl)methyl-methylamino]hexan-2-one
CID 62029803
6-[methyl-[(4-methylphenyl)methyl]amino]hexan-2-one
CID 62050969
3-[4-[[butyl(methyl)amino]methyl]phenyl]propanoic acid
CID 84758649
N,N'-dimethyl-N'-[(4-propylphenyl)methyl]propane-1,3-diamine
CID 115197894
5-[[methyl(4-oxopentyl)amino]methyl]-1,3-dihydrobenzimidazol-2-one
CID 115236618
5-(4-butylphenyl)pentan-2-one;ethane
CID 143473141
5-[(4-ethoxy-3-fluorophenyl)methyl-methylamino]pentan-2-one
CID 115236597
N-[[4-[2-(ethylamino)ethyl]phenyl]methyl]-N-methylbutan-1-amine
CID 105346574
6-[methyl-[(4-methylphenyl)methyl]amino]hexan-3-one
CID 106801306
N-methyl-N-[[4-[[methyl(propyl)amino]methyl]phenyl]methyl]propan-1-amine
CID 138737865
4-[(4-hydroxyphenyl)methyl-methylamino]butanoic acid
CID 65068076

Frequently Asked Questions

What is the IUPAC name of 5-[methyl-[(4-propylphenyl)methyl]amino]pentan-2-one?
The IUPAC name of 5-[methyl-[(4-propylphenyl)methyl]amino]pentan-2-one (CID 115236578) is 5-[methyl-[(4-propylphenyl)methyl]amino]pentan-2-one.
What is the SMILES notation for 5-[methyl-[(4-propylphenyl)methyl]amino]pentan-2-one?
The canonical SMILES for 5-[methyl-[(4-propylphenyl)methyl]amino]pentan-2-one is CCCc1ccc(CN(C)CCCC(C)=O)cc1.
What is the InChIKey of 5-[methyl-[(4-propylphenyl)methyl]amino]pentan-2-one?
The InChIKey is OCMUQISVGICWCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-4-6-15-8-10-16(11-9-15)13-17(3)12-5-7-14(2)18/h8-11H,4-7,12-13H2,1-3H3.
What are the key properties of 5-[methyl-[(4-propylphenyl)methyl]amino]pentan-2-one?
5-[methyl-[(4-propylphenyl)methyl]amino]pentan-2-one has a molecular weight of 247.38 g/mol, XLogP of 3.44, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[methyl-[(4-propylphenyl)methyl]amino]pentan-2-one is sourced from PubChem (CID 115236578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).