1-[ethyl(propyl)amino]-3-(2-methoxy-6-methylphenyl)propan-2-one

C16H25NO2 — CID 161490214

IUPAC1-[ethyl(propyl)amino]-3-(2-methoxy-6-methylphenyl)propan-2-one
SMILESCCCN(CC)CC(=O)Cc1c(C)cccc1OC
InChIInChI=1S/C16H25NO2/c1-5-10-17(6-2)12-14(18)11-15-13(3)8-7-9-16(15)19-4/h7-9H,5-6,10-12H2,1-4H3
InChIKeyUOEGSRWFPSPJTH-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.85
Rot. Bonds8

About 1-[ethyl(propyl)amino]-3-(2-methoxy-6-methylphenyl)propan-2-one

1-[ethyl(propyl)amino]-3-(2-methoxy-6-methylphenyl)propan-2-one (PubChem CID 161490214) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 1-[ethyl(propyl)amino]-3-(2-methoxy-6-methylphenyl)propan-2-one.

Molecular Properties

Compound Name1-[ethyl(propyl)amino]-3-(2-methoxy-6-methylphenyl)propan-2-one
PubChem CID161490214
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name1-[ethyl(propyl)amino]-3-(2-methoxy-6-methylphenyl)propan-2-one
SMILESCCCN(CC)CC(=O)Cc1c(C)cccc1OC
InChIInChI=1S/C16H25NO2/c1-5-10-17(6-2)12-14(18)11-15-13(3)8-7-9-16(15)19-4/h7-9H,5-6,10-12H2,1-4H3
InChIKeyUOEGSRWFPSPJTH-UHFFFAOYSA-N
XLogP2.85
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,6-dimethylphenyl)-3-[ethyl(propyl)amino]propan-2-one
CID 158292026
1-[butyl(ethyl)amino]-3-(2-hydroxy-6-methylphenyl)propan-2-one
CID 159738845
1-(3-bromo-2,6-dimethylphenyl)-3-[ethyl(propyl)amino]propan-2-one
CID 158899698
1-(2-methoxy-6-methylphenyl)-2-methylheptan-4-one
CID 83923895
methyl 2-[(2-fluoro-3-methoxyphenyl)methyl-propylamino]acetate
CID 104794477
2-butyl-1,3-dimethoxybenzene
CID 524840
1-[ethyl(2-methoxyethyl)amino]-3-phenylpropan-2-one
CID 54949080
2-(2-methoxy-6-methylphenyl)ethanol
CID 15742838
methyl 5-(2,6-dimethoxyphenyl)-4-oxopentanoate
CID 116811030
CID 123401286
CID 123401286
2-[(2-hydroxy-3-methylphenyl)methyl-propylamino]-N,N-dimethylacetamide
CID 112553556
N,N-dimethyl-2-[[2-[methyl-[(2-methylphenyl)methyl]amino]-2-oxoethyl]-propylamino]acetamide
CID 60542879

Frequently Asked Questions

What is the IUPAC name of 1-[ethyl(propyl)amino]-3-(2-methoxy-6-methylphenyl)propan-2-one?
The IUPAC name of 1-[ethyl(propyl)amino]-3-(2-methoxy-6-methylphenyl)propan-2-one (CID 161490214) is 1-[ethyl(propyl)amino]-3-(2-methoxy-6-methylphenyl)propan-2-one.
What is the SMILES notation for 1-[ethyl(propyl)amino]-3-(2-methoxy-6-methylphenyl)propan-2-one?
The canonical SMILES for 1-[ethyl(propyl)amino]-3-(2-methoxy-6-methylphenyl)propan-2-one is CCCN(CC)CC(=O)Cc1c(C)cccc1OC.
What is the InChIKey of 1-[ethyl(propyl)amino]-3-(2-methoxy-6-methylphenyl)propan-2-one?
The InChIKey is UOEGSRWFPSPJTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-5-10-17(6-2)12-14(18)11-15-13(3)8-7-9-16(15)19-4/h7-9H,5-6,10-12H2,1-4H3.
What are the key properties of 1-[ethyl(propyl)amino]-3-(2-methoxy-6-methylphenyl)propan-2-one?
1-[ethyl(propyl)amino]-3-(2-methoxy-6-methylphenyl)propan-2-one has a molecular weight of 263.38 g/mol, XLogP of 2.85, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[ethyl(propyl)amino]-3-(2-methoxy-6-methylphenyl)propan-2-one is sourced from PubChem (CID 161490214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).