3-(butan-2-ylamino)-1-phenylpropan-1-one

C13H19NO — CID 112509787

IUPAC3-(butan-2-ylamino)-1-phenylpropan-1-one
SMILESCCC(C)NCCC(=O)c1ccccc1
InChIInChI=1S/C13H19NO/c1-3-11(2)14-10-9-13(15)12-7-5-4-6-8-12/h4-8,11,14H,3,9-10H2,1-2H3
InChIKeyQYBRLLHDYLVNCQ-UHFFFAOYSA-N
MW205.30 g/mol
LogP2.65
Rot. Bonds6

About 3-(butan-2-ylamino)-1-phenylpropan-1-one

3-(butan-2-ylamino)-1-phenylpropan-1-one (PubChem CID 112509787) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is 3-(butan-2-ylamino)-1-phenylpropan-1-one.

Molecular Properties

Compound Name3-(butan-2-ylamino)-1-phenylpropan-1-one
PubChem CID112509787
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name3-(butan-2-ylamino)-1-phenylpropan-1-one
SMILESCCC(C)NCCC(=O)c1ccccc1
InChIInChI=1S/C13H19NO/c1-3-11(2)14-10-9-13(15)12-7-5-4-6-8-12/h4-8,11,14H,3,9-10H2,1-2H3
InChIKeyQYBRLLHDYLVNCQ-UHFFFAOYSA-N
XLogP2.65
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(butan-2-ylamino)-1-(4-fluorophenyl)propan-1-one
CID 10376307
3-(butan-2-ylamino)-1-(4-chlorophenyl)propan-1-one
CID 112510179
N-butan-2-yl-3-phenylbut-3-en-1-amine
CID 70499013
ethyl (2S)-2-[(3-oxo-3-phenylpropyl)amino]propanoate
CID 2069021
3-[[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]amino]-1-phenylpropan-1-one
CID 122190791
3-[3-[(4-oxo-4-phenylbutan-2-yl)amino]propylamino]-1-phenylbutan-1-one
CID 100941920
1-(4-benzylphenyl)-3-(propan-2-ylamino)propan-1-one
CID 163635325
ethane;3-(methylamino)-1-phenylpropan-1-one
CID 91239900
N-benzyl-3-(butan-2-ylamino)-N-ethylpropanamide
CID 109013097
methyl (2S)-2-[(3-oxo-3-phenylpropyl)amino]-2-phenylacetate
CID 11770950
1-phenylbutan-1-one
CID 10315
1-phenylbutan-1-one;hydrobromide
CID 139638507

Frequently Asked Questions

What is the IUPAC name of 3-(butan-2-ylamino)-1-phenylpropan-1-one?
The IUPAC name of 3-(butan-2-ylamino)-1-phenylpropan-1-one (CID 112509787) is 3-(butan-2-ylamino)-1-phenylpropan-1-one.
What is the SMILES notation for 3-(butan-2-ylamino)-1-phenylpropan-1-one?
The canonical SMILES for 3-(butan-2-ylamino)-1-phenylpropan-1-one is CCC(C)NCCC(=O)c1ccccc1.
What is the InChIKey of 3-(butan-2-ylamino)-1-phenylpropan-1-one?
The InChIKey is QYBRLLHDYLVNCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO/c1-3-11(2)14-10-9-13(15)12-7-5-4-6-8-12/h4-8,11,14H,3,9-10H2,1-2H3.
What are the key properties of 3-(butan-2-ylamino)-1-phenylpropan-1-one?
3-(butan-2-ylamino)-1-phenylpropan-1-one has a molecular weight of 205.30 g/mol, XLogP of 2.65, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(butan-2-ylamino)-1-phenylpropan-1-one is sourced from PubChem (CID 112509787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).