4-[cyclopropyl(methyl)amino]-1-phenylbutan-1-one

C14H19NO — CID 43792894

IUPAC4-[cyclopropyl(methyl)amino]-1-phenylbutan-1-one
SMILESCN(CCCC(=O)c1ccccc1)C1CC1
InChIInChI=1S/C14H19NO/c1-15(13-9-10-13)11-5-8-14(16)12-6-3-2-4-7-12/h2-4,6-7,13H,5,8-11H2,1H3
InChIKeyJPIQRWIYNCBNDL-UHFFFAOYSA-N
MW217.31 g/mol
LogP2.74
Rot. Bonds6

About 4-[cyclopropyl(methyl)amino]-1-phenylbutan-1-one

4-[cyclopropyl(methyl)amino]-1-phenylbutan-1-one (PubChem CID 43792894) has the molecular formula C14H19NO and a molecular weight of 217.31 g/mol. Its IUPAC name is 4-[cyclopropyl(methyl)amino]-1-phenylbutan-1-one.

Molecular Properties

Compound Name4-[cyclopropyl(methyl)amino]-1-phenylbutan-1-one
PubChem CID43792894
Molecular FormulaC14H19NO
Molecular Weight217.31 g/mol
Exact Mass217.15
IUPAC Name4-[cyclopropyl(methyl)amino]-1-phenylbutan-1-one
SMILESCN(CCCC(=O)c1ccccc1)C1CC1
InChIInChI=1S/C14H19NO/c1-15(13-9-10-13)11-5-8-14(16)12-6-3-2-4-7-12/h2-4,6-7,13H,5,8-11H2,1H3
InChIKeyJPIQRWIYNCBNDL-UHFFFAOYSA-N
XLogP2.74
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

17-(dimethylamino)-1-phenylheptadecan-1-one;hydrobromide
CID 175178049
1,15-diphenylpentadecane-1,15-dione
CID 159981687
1-(4-bromophenyl)-4-[methyl-(1-methylpiperidin-4-yl)amino]butan-1-one
CID 43229281
4-[cyclopentyl(2-hydroxyethyl)amino]-1-phenylbutan-1-one
CID 62034933
N,N-dimethyl-8-oxo-8-phenyloctanamide
CID 58982119
4-[(1-hydroxycyclopentyl)methyl-methylamino]-1-phenylbutan-1-one
CID 114950371
1-phenylheptane-1,6-dione
CID 11333176
N,N-diethyl-2-[methyl-(4-oxo-4-phenylbutyl)amino]acetamide
CID 60695015
4-[methyl(oxan-3-ylmethyl)amino]-1-phenylbutan-1-one
CID 63712078
4-[methyl(3-methylsulfanylpropyl)amino]-1-phenylbutan-1-one
CID 114237475
1-phenylheptadecan-1-one
CID 577626
1-phenyldodecane-1,11-dione
CID 13147766

Frequently Asked Questions

What is the IUPAC name of 4-[cyclopropyl(methyl)amino]-1-phenylbutan-1-one?
The IUPAC name of 4-[cyclopropyl(methyl)amino]-1-phenylbutan-1-one (CID 43792894) is 4-[cyclopropyl(methyl)amino]-1-phenylbutan-1-one.
What is the SMILES notation for 4-[cyclopropyl(methyl)amino]-1-phenylbutan-1-one?
The canonical SMILES for 4-[cyclopropyl(methyl)amino]-1-phenylbutan-1-one is CN(CCCC(=O)c1ccccc1)C1CC1.
What is the InChIKey of 4-[cyclopropyl(methyl)amino]-1-phenylbutan-1-one?
The InChIKey is JPIQRWIYNCBNDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO/c1-15(13-9-10-13)11-5-8-14(16)12-6-3-2-4-7-12/h2-4,6-7,13H,5,8-11H2,1H3.
What are the key properties of 4-[cyclopropyl(methyl)amino]-1-phenylbutan-1-one?
4-[cyclopropyl(methyl)amino]-1-phenylbutan-1-one has a molecular weight of 217.31 g/mol, XLogP of 2.74, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[cyclopropyl(methyl)amino]-1-phenylbutan-1-one is sourced from PubChem (CID 43792894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).