4-[furan-2-ylmethyl(methyl)amino]-1-phenylbutan-1-one

C16H19NO2 — CID 60695002

IUPAC4-[furan-2-ylmethyl(methyl)amino]-1-phenylbutan-1-one
SMILESCN(CCCC(=O)c1ccccc1)Cc1ccco1
InChIInChI=1S/C16H19NO2/c1-17(13-15-9-6-12-19-15)11-5-10-16(18)14-7-3-2-4-8-14/h2-4,6-9,12H,5,10-11,13H2,1H3
InChIKeyQVUALMXSBNNSBH-UHFFFAOYSA-N
MW257.33 g/mol
LogP3.37
Rot. Bonds7

About 4-[furan-2-ylmethyl(methyl)amino]-1-phenylbutan-1-one

4-[furan-2-ylmethyl(methyl)amino]-1-phenylbutan-1-one (PubChem CID 60695002) has the molecular formula C16H19NO2 and a molecular weight of 257.33 g/mol. Its IUPAC name is 4-[furan-2-ylmethyl(methyl)amino]-1-phenylbutan-1-one.

Molecular Properties

Compound Name4-[furan-2-ylmethyl(methyl)amino]-1-phenylbutan-1-one
PubChem CID60695002
Molecular FormulaC16H19NO2
Molecular Weight257.33 g/mol
Exact Mass257.14
IUPAC Name4-[furan-2-ylmethyl(methyl)amino]-1-phenylbutan-1-one
SMILESCN(CCCC(=O)c1ccccc1)Cc1ccco1
InChIInChI=1S/C16H19NO2/c1-17(13-15-9-6-12-19-15)11-5-10-16(18)14-7-3-2-4-8-14/h2-4,6-9,12H,5,10-11,13H2,1H3
InChIKeyQVUALMXSBNNSBH-UHFFFAOYSA-N
XLogP3.37
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-chlorophenyl)-3-[furan-2-ylmethyl(methyl)amino]propan-1-one
CID 62619027
3-[ethyl(furan-2-ylmethyl)amino]-1-phenylpropan-1-one
CID 55094929
4-[furan-2-ylmethyl(methyl)amino]-1-thiophen-2-ylbutan-1-one
CID 60694532
1-(3-chlorophenyl)-3-[furan-2-ylmethyl(methyl)amino]propan-1-one
CID 62629516
4-[furan-2-ylmethyl(methyl)amino]butan-1-ol
CID 43527145
1-(2-chlorophenyl)-3-[furan-2-ylmethyl(methyl)amino]propan-1-one
CID 55099156
4-[benzyl(methyl)amino]-1-[4-[4-[benzyl(methyl)amino]butanoyl]phenyl]butan-1-one;dihydrochloride
CID 52997459
9-bromo-N-(furan-2-ylmethyl)-N-methylnonan-1-amine
CID 105343610
3-[cyclopropyl(furan-2-ylmethyl)amino]-1-phenylpropan-1-one
CID 62612099
2-[ethyl(furan-2-ylmethyl)amino]-1-phenylethanone
CID 62037006
4-[(2-fluorophenyl)methyl-methylamino]-1-phenylbutan-1-one
CID 60692532
4-[methyl(3-methylsulfanylpropyl)amino]-1-phenylbutan-1-one
CID 114237475

Frequently Asked Questions

What is the IUPAC name of 4-[furan-2-ylmethyl(methyl)amino]-1-phenylbutan-1-one?
The IUPAC name of 4-[furan-2-ylmethyl(methyl)amino]-1-phenylbutan-1-one (CID 60695002) is 4-[furan-2-ylmethyl(methyl)amino]-1-phenylbutan-1-one.
What is the SMILES notation for 4-[furan-2-ylmethyl(methyl)amino]-1-phenylbutan-1-one?
The canonical SMILES for 4-[furan-2-ylmethyl(methyl)amino]-1-phenylbutan-1-one is CN(CCCC(=O)c1ccccc1)Cc1ccco1.
What is the InChIKey of 4-[furan-2-ylmethyl(methyl)amino]-1-phenylbutan-1-one?
The InChIKey is QVUALMXSBNNSBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO2/c1-17(13-15-9-6-12-19-15)11-5-10-16(18)14-7-3-2-4-8-14/h2-4,6-9,12H,5,10-11,13H2,1H3.
What are the key properties of 4-[furan-2-ylmethyl(methyl)amino]-1-phenylbutan-1-one?
4-[furan-2-ylmethyl(methyl)amino]-1-phenylbutan-1-one has a molecular weight of 257.33 g/mol, XLogP of 3.37, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[furan-2-ylmethyl(methyl)amino]-1-phenylbutan-1-one is sourced from PubChem (CID 60695002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).