3-[ethyl(2-methylbutyl)amino]-1-(2-methylphenyl)propan-1-one

C17H27NO — CID 79481123

IUPAC3-[ethyl(2-methylbutyl)amino]-1-(2-methylphenyl)propan-1-one
SMILESCCC(C)CN(CC)CCC(=O)c1ccccc1C
InChIInChI=1S/C17H27NO/c1-5-14(3)13-18(6-2)12-11-17(19)16-10-8-7-9-15(16)4/h7-10,14H,5-6,11-13H2,1-4H3
InChIKeyBRKXDSGYTWRADJ-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.94
Rot. Bonds8

About 3-[ethyl(2-methylbutyl)amino]-1-(2-methylphenyl)propan-1-one

3-[ethyl(2-methylbutyl)amino]-1-(2-methylphenyl)propan-1-one (PubChem CID 79481123) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is 3-[ethyl(2-methylbutyl)amino]-1-(2-methylphenyl)propan-1-one.

Molecular Properties

Compound Name3-[ethyl(2-methylbutyl)amino]-1-(2-methylphenyl)propan-1-one
PubChem CID79481123
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC Name3-[ethyl(2-methylbutyl)amino]-1-(2-methylphenyl)propan-1-one
SMILESCCC(C)CN(CC)CCC(=O)c1ccccc1C
InChIInChI=1S/C17H27NO/c1-5-14(3)13-18(6-2)12-11-17(19)16-10-8-7-9-15(16)4/h7-10,14H,5-6,11-13H2,1-4H3
InChIKeyBRKXDSGYTWRADJ-UHFFFAOYSA-N
XLogP3.94
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-[ethyl-(2-hydroxy-2-methylpropyl)amino]-1-(2-methylphenyl)propan-1-one
CID 79379927
3-methyl-1-(2-methylphenyl)pentan-1-one
CID 62620781
1-(2,5-dimethylphenyl)-2-[ethyl(2-methylbutyl)amino]ethanone
CID 79476690
5-methyl-1-(2-methylphenyl)hexan-1-one
CID 83157538
5-methyl-1-(2-methylphenyl)hexane-1,4-dione
CID 58283906
2-[ethyl(propan-2-yl)amino]-1-(2-methylphenyl)ethanone
CID 43795126
2-[2-[ethyl(2-methylbutyl)amino]ethoxy]benzohydrazide
CID 79482895
N-(5-amino-2-methylphenyl)-3-[ethyl(2-methylbutyl)amino]propanamide
CID 79481491
2-[1-(dimethylamino)propan-2-yl-ethylamino]-1-(2-methylphenyl)ethanone
CID 103189902
N-[2-(diethylamino)propyl]-4-(2-methylphenyl)-4-oxobutanamide
CID 110620399
1-(2-methylphenyl)-3-propan-2-yloxypropan-1-one
CID 114998408
3-[ethyl(2-methylbutyl)amino]-1-phenylpropan-1-ol
CID 79480920

Frequently Asked Questions

What is the IUPAC name of 3-[ethyl(2-methylbutyl)amino]-1-(2-methylphenyl)propan-1-one?
The IUPAC name of 3-[ethyl(2-methylbutyl)amino]-1-(2-methylphenyl)propan-1-one (CID 79481123) is 3-[ethyl(2-methylbutyl)amino]-1-(2-methylphenyl)propan-1-one.
What is the SMILES notation for 3-[ethyl(2-methylbutyl)amino]-1-(2-methylphenyl)propan-1-one?
The canonical SMILES for 3-[ethyl(2-methylbutyl)amino]-1-(2-methylphenyl)propan-1-one is CCC(C)CN(CC)CCC(=O)c1ccccc1C.
What is the InChIKey of 3-[ethyl(2-methylbutyl)amino]-1-(2-methylphenyl)propan-1-one?
The InChIKey is BRKXDSGYTWRADJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-5-14(3)13-18(6-2)12-11-17(19)16-10-8-7-9-15(16)4/h7-10,14H,5-6,11-13H2,1-4H3.
What are the key properties of 3-[ethyl(2-methylbutyl)amino]-1-(2-methylphenyl)propan-1-one?
3-[ethyl(2-methylbutyl)amino]-1-(2-methylphenyl)propan-1-one has a molecular weight of 261.41 g/mol, XLogP of 3.94, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl(2-methylbutyl)amino]-1-(2-methylphenyl)propan-1-one is sourced from PubChem (CID 79481123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).