3-[ethyl(2-methylpropyl)amino]-1-(4-methylphenyl)propan-1-one

C16H25NO — CID 62611644

IUPAC3-[ethyl(2-methylpropyl)amino]-1-(4-methylphenyl)propan-1-one
SMILESCCN(CCC(=O)c1ccc(C)cc1)CC(C)C
InChIInChI=1S/C16H25NO/c1-5-17(12-13(2)3)11-10-16(18)15-8-6-14(4)7-9-15/h6-9,13H,5,10-12H2,1-4H3
InChIKeyFGAYKRNEDSWRSP-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.55
Rot. Bonds7

About 3-[ethyl(2-methylpropyl)amino]-1-(4-methylphenyl)propan-1-one

3-[ethyl(2-methylpropyl)amino]-1-(4-methylphenyl)propan-1-one (PubChem CID 62611644) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is 3-[ethyl(2-methylpropyl)amino]-1-(4-methylphenyl)propan-1-one.

Molecular Properties

Compound Name3-[ethyl(2-methylpropyl)amino]-1-(4-methylphenyl)propan-1-one
PubChem CID62611644
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name3-[ethyl(2-methylpropyl)amino]-1-(4-methylphenyl)propan-1-one
SMILESCCN(CCC(=O)c1ccc(C)cc1)CC(C)C
InChIInChI=1S/C16H25NO/c1-5-17(12-13(2)3)11-10-16(18)15-8-6-14(4)7-9-15/h6-9,13H,5,10-12H2,1-4H3
InChIKeyFGAYKRNEDSWRSP-UHFFFAOYSA-N
XLogP3.55
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-methylphenyl)-3-[2-methylpropyl(propan-2-yl)amino]propan-1-one
CID 62613655
1-(4-bromophenyl)-4-[ethyl(2-methylpropyl)amino]butan-1-one
CID 43793005
3-[cyclopropylmethyl(ethyl)amino]-1-(4-methylphenyl)propan-1-one
CID 63956514
1-(3-chlorophenyl)-3-[ethyl(2-methylpropyl)amino]propan-1-one
CID 62631217
3-[di(propan-2-yl)amino]-1-(4-methylphenyl)propan-1-one
CID 174749229
1-(4-chlorophenyl)-3-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]propan-1-one
CID 62619386
2-[ethyl(2-methylbutyl)amino]-1-(4-methylphenyl)ethanone
CID 79477665
3-[ethyl(furan-2-ylmethyl)amino]-1-(4-methylphenyl)propan-1-one
CID 62613649
3-(diethylamino)-1-phenylpropan-1-one;hydrochloride
CID 13496280
4-[bis(2-methylpropyl)amino]-1-(4-bromophenyl)butan-1-one
CID 63567345
3-(dibenzylamino)-1-(4-methylphenyl)propan-1-one;hydrochloride
CID 3064601
3-[2-methoxyethyl(1-methoxypropan-2-yl)amino]-1-(4-methylphenyl)propan-1-one
CID 62613959

Frequently Asked Questions

What is the IUPAC name of 3-[ethyl(2-methylpropyl)amino]-1-(4-methylphenyl)propan-1-one?
The IUPAC name of 3-[ethyl(2-methylpropyl)amino]-1-(4-methylphenyl)propan-1-one (CID 62611644) is 3-[ethyl(2-methylpropyl)amino]-1-(4-methylphenyl)propan-1-one.
What is the SMILES notation for 3-[ethyl(2-methylpropyl)amino]-1-(4-methylphenyl)propan-1-one?
The canonical SMILES for 3-[ethyl(2-methylpropyl)amino]-1-(4-methylphenyl)propan-1-one is CCN(CCC(=O)c1ccc(C)cc1)CC(C)C.
What is the InChIKey of 3-[ethyl(2-methylpropyl)amino]-1-(4-methylphenyl)propan-1-one?
The InChIKey is FGAYKRNEDSWRSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-5-17(12-13(2)3)11-10-16(18)15-8-6-14(4)7-9-15/h6-9,13H,5,10-12H2,1-4H3.
What are the key properties of 3-[ethyl(2-methylpropyl)amino]-1-(4-methylphenyl)propan-1-one?
3-[ethyl(2-methylpropyl)amino]-1-(4-methylphenyl)propan-1-one has a molecular weight of 247.38 g/mol, XLogP of 3.55, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl(2-methylpropyl)amino]-1-(4-methylphenyl)propan-1-one is sourced from PubChem (CID 62611644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).