1-[2-[2-methylpropyl(pentan-3-yl)amino]phenyl]ethanone

C17H27NO — CID 79483626

IUPAC1-[2-[2-methylpropyl(pentan-3-yl)amino]phenyl]ethanone
SMILESCCC(CC)N(CC(C)C)c1ccccc1C(C)=O
InChIInChI=1S/C17H27NO/c1-6-15(7-2)18(12-13(3)4)17-11-9-8-10-16(17)14(5)19/h8-11,13,15H,6-7,12H2,1-5H3
InChIKeyCELZRHWSQLKSEU-UHFFFAOYSA-N
MW261.41 g/mol
LogP4.54
Rot. Bonds7

About 1-[2-[2-methylpropyl(pentan-3-yl)amino]phenyl]ethanone

1-[2-[2-methylpropyl(pentan-3-yl)amino]phenyl]ethanone (PubChem CID 79483626) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is 1-[2-[2-methylpropyl(pentan-3-yl)amino]phenyl]ethanone.

Molecular Properties

Compound Name1-[2-[2-methylpropyl(pentan-3-yl)amino]phenyl]ethanone
PubChem CID79483626
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC Name1-[2-[2-methylpropyl(pentan-3-yl)amino]phenyl]ethanone
SMILESCCC(CC)N(CC(C)C)c1ccccc1C(C)=O
InChIInChI=1S/C17H27NO/c1-6-15(7-2)18(12-13(3)4)17-11-9-8-10-16(17)14(5)19/h8-11,13,15H,6-7,12H2,1-5H3
InChIKeyCELZRHWSQLKSEU-UHFFFAOYSA-N
XLogP4.54
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 ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-methylpropyl(pentan-3-yl)amino]benzoic acid
CID 79483064
1-[2-[2-methylpropyl(pentan-3-yl)amino]-3-pyridinyl]ethanone
CID 114055594
1-[2-[cyclopropyl(2-methylpropyl)amino]phenyl]ethanone
CID 55002410
1-[2-[2-hydroxypropyl(methyl)amino]phenyl]ethanone
CID 62332772
3-fluoro-1-N-(2-methylpropyl)-1-N-pentan-3-ylbenzene-1,2-diamine
CID 79483525
1-[2-[ethyl(propyl)amino]phenyl]ethanone
CID 43268854
2-methyl-4-[2-methylpropyl(pentan-3-yl)amino]benzoic acid
CID 79484218
2-[3-[(2-fluorophenyl)carbamoylamino]-4-[2-methylpropyl(pentan-3-yl)amino]phenyl]benzoic acid
CID 121474570
5-fluoro-N'-hydroxy-2-[2-methylpropyl(pentan-3-yl)amino]benzenecarboximidamide
CID 79490936
5-chloro-N'-hydroxy-2-[2-methylpropyl(pentan-3-yl)amino]benzenecarboximidamide
CID 79490935
2-[[2-methylpropyl(pentan-3-yl)amino]methyl]benzohydrazide
CID 79489331
(1R)-1-[3-bromo-4-[2-methylpropyl(pentan-3-yl)amino]phenyl]ethanol
CID 79483552

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-methylpropyl(pentan-3-yl)amino]phenyl]ethanone?
The IUPAC name of 1-[2-[2-methylpropyl(pentan-3-yl)amino]phenyl]ethanone (CID 79483626) is 1-[2-[2-methylpropyl(pentan-3-yl)amino]phenyl]ethanone.
What is the SMILES notation for 1-[2-[2-methylpropyl(pentan-3-yl)amino]phenyl]ethanone?
The canonical SMILES for 1-[2-[2-methylpropyl(pentan-3-yl)amino]phenyl]ethanone is CCC(CC)N(CC(C)C)c1ccccc1C(C)=O.
What is the InChIKey of 1-[2-[2-methylpropyl(pentan-3-yl)amino]phenyl]ethanone?
The InChIKey is CELZRHWSQLKSEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-6-15(7-2)18(12-13(3)4)17-11-9-8-10-16(17)14(5)19/h8-11,13,15H,6-7,12H2,1-5H3.
What are the key properties of 1-[2-[2-methylpropyl(pentan-3-yl)amino]phenyl]ethanone?
1-[2-[2-methylpropyl(pentan-3-yl)amino]phenyl]ethanone has a molecular weight of 261.41 g/mol, XLogP of 4.54, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-methylpropyl(pentan-3-yl)amino]phenyl]ethanone is sourced from PubChem (CID 79483626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).