2-(dipropylamino)-1-(2,4,5-trimethylphenyl)ethanone

C17H27NO — CID 43219591

IUPAC2-(dipropylamino)-1-(2,4,5-trimethylphenyl)ethanone
SMILESCCCN(CCC)CC(=O)c1cc(C)c(C)cc1C
InChIInChI=1S/C17H27NO/c1-6-8-18(9-7-2)12-17(19)16-11-14(4)13(3)10-15(16)5/h10-11H,6-9,12H2,1-5H3
InChIKeyBQZPWHXJUFBDQU-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.92
Rot. Bonds7

About 2-(dipropylamino)-1-(2,4,5-trimethylphenyl)ethanone

2-(dipropylamino)-1-(2,4,5-trimethylphenyl)ethanone (PubChem CID 43219591) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is 2-(dipropylamino)-1-(2,4,5-trimethylphenyl)ethanone.

Molecular Properties

Compound Name2-(dipropylamino)-1-(2,4,5-trimethylphenyl)ethanone
PubChem CID43219591
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC Name2-(dipropylamino)-1-(2,4,5-trimethylphenyl)ethanone
SMILESCCCN(CCC)CC(=O)c1cc(C)c(C)cc1C
InChIInChI=1S/C17H27NO/c1-6-8-18(9-7-2)12-17(19)16-11-14(4)13(3)10-15(16)5/h10-11H,6-9,12H2,1-5H3
InChIKeyBQZPWHXJUFBDQU-UHFFFAOYSA-N
XLogP3.92
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-hydroxyethyl(propyl)amino]-1-(2,4,5-trimethylphenyl)ethanone
CID 62051328
2-[cyclopropyl(propyl)amino]-1-(2,4,5-trimethylphenyl)ethanone
CID 43795545
2-[ethyl(2-methoxyethyl)amino]-1-(2,4,5-trimethylphenyl)ethanone
CID 61446805
2-[bis(2-methylpropyl)amino]-1-(2,4,5-trimethylphenyl)ethanone
CID 60649688
2-[ethyl(2-methylpropyl)amino]-1-(2,4,5-trimethylphenyl)ethanone
CID 43795911
1-(2,4,5-trimethylphenyl)butan-1-one
CID 55269935
2-[[2-(2,4-dimethylphenyl)-2-oxoethyl]-propylamino]-N,N-dimethylacetamide
CID 62031117
2-[methyl(propan-2-yl)amino]-1-(2,4,5-trimethylphenyl)ethanone
CID 43219755
2-[3-(dimethylamino)propyl-methylamino]-1-(2,4,5-trimethylphenyl)ethanone
CID 63699719
2-[methyl(3-methylbutan-2-yl)amino]-1-(2,4,5-trimethylphenyl)ethanone
CID 43796801
2-[ethyl(thiophen-2-ylmethyl)amino]-1-(2,4,5-trimethylphenyl)ethanone
CID 62036551
2-[butyl(2-hydroxyethyl)amino]-1-(2,5-dimethylphenyl)ethanone
CID 62051512

Frequently Asked Questions

What is the IUPAC name of 2-(dipropylamino)-1-(2,4,5-trimethylphenyl)ethanone?
The IUPAC name of 2-(dipropylamino)-1-(2,4,5-trimethylphenyl)ethanone (CID 43219591) is 2-(dipropylamino)-1-(2,4,5-trimethylphenyl)ethanone.
What is the SMILES notation for 2-(dipropylamino)-1-(2,4,5-trimethylphenyl)ethanone?
The canonical SMILES for 2-(dipropylamino)-1-(2,4,5-trimethylphenyl)ethanone is CCCN(CCC)CC(=O)c1cc(C)c(C)cc1C.
What is the InChIKey of 2-(dipropylamino)-1-(2,4,5-trimethylphenyl)ethanone?
The InChIKey is BQZPWHXJUFBDQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-6-8-18(9-7-2)12-17(19)16-11-14(4)13(3)10-15(16)5/h10-11H,6-9,12H2,1-5H3.
What are the key properties of 2-(dipropylamino)-1-(2,4,5-trimethylphenyl)ethanone?
2-(dipropylamino)-1-(2,4,5-trimethylphenyl)ethanone has a molecular weight of 261.41 g/mol, XLogP of 3.92, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dipropylamino)-1-(2,4,5-trimethylphenyl)ethanone is sourced from PubChem (CID 43219591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).