(3S)-4-(9H-fluoren-2-yl)-3-(methylamino)butan-2-one

C18H19NO — CID 58904352

IUPAC(3S)-4-(9H-fluoren-2-yl)-3-(methylamino)butan-2-one
SMILESCN[C@@H](Cc1ccc2c(c1)Cc1ccccc1-2)C(C)=O
InChIInChI=1S/C18H19NO/c1-12(20)18(19-2)10-13-7-8-17-15(9-13)11-14-5-3-4-6-16(14)17/h3-9,18-19H,10-11H2,1-2H3/t18-/m0/s1
InChIKeyJGDAQTGSJFUBFY-SFHVURJKSA-N
MW265.36 g/mol
LogP2.98
Rot. Bonds4

About (3S)-4-(9H-fluoren-2-yl)-3-(methylamino)butan-2-one

(3S)-4-(9H-fluoren-2-yl)-3-(methylamino)butan-2-one (PubChem CID 58904352) has the molecular formula C18H19NO and a molecular weight of 265.36 g/mol. Its IUPAC name is (3S)-4-(9H-fluoren-2-yl)-3-(methylamino)butan-2-one.

Molecular Properties

Compound Name(3S)-4-(9H-fluoren-2-yl)-3-(methylamino)butan-2-one
PubChem CID58904352
Molecular FormulaC18H19NO
Molecular Weight265.36 g/mol
Exact Mass265.15
IUPAC Name(3S)-4-(9H-fluoren-2-yl)-3-(methylamino)butan-2-one
SMILESCN[C@@H](Cc1ccc2c(c1)Cc1ccccc1-2)C(C)=O
InChIInChI=1S/C18H19NO/c1-12(20)18(19-2)10-13-7-8-17-15(9-13)11-14-5-3-4-6-16(14)17/h3-9,18-19H,10-11H2,1-2H3/t18-/m0/s1
InChIKeyJGDAQTGSJFUBFY-SFHVURJKSA-N
XLogP2.98
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-acetamido-3-(9H-fluoren-3-yl)propanoic acid
CID 125463442
ethyl 2-amino-3-(9H-fluoren-2-yl)propanoate;hydrochloride
CID 70243578
3-(9H-fluoren-2-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 15580563
(3R)-3-(methylamino)-4-phenylbutan-2-one
CID 59965984
(3S)-3-(methylamino)-4-(4-phenylphenyl)butan-2-one
CID 59048252
(3R)-3-(methylamino)-4-(4-methylphenyl)butan-2-one
CID 58858482
2-(4-acetamidophenyl)-N-(9H-fluoren-2-yl)acetamide
CID 30755196
2-[(3,5-diethylphenyl)methyl]-9H-fluorene
CID 167699473
2-(fluoromethyl)-9H-fluorene
CID 126607350
9H-fluoren-2-ylmethyl(trimethyl)silane
CID 132540419
N-(9H-fluoren-2-ylmethyl)methanimine
CID 142569253
tert-butyl N-[(2S)-1-amino-3-(9,10-dihydrophenanthren-2-yl)-1-oxopropan-2-yl]carbamate
CID 167103545

Frequently Asked Questions

What is the IUPAC name of (3S)-4-(9H-fluoren-2-yl)-3-(methylamino)butan-2-one?
The IUPAC name of (3S)-4-(9H-fluoren-2-yl)-3-(methylamino)butan-2-one (CID 58904352) is (3S)-4-(9H-fluoren-2-yl)-3-(methylamino)butan-2-one.
What is the SMILES notation for (3S)-4-(9H-fluoren-2-yl)-3-(methylamino)butan-2-one?
The canonical SMILES for (3S)-4-(9H-fluoren-2-yl)-3-(methylamino)butan-2-one is CN[C@@H](Cc1ccc2c(c1)Cc1ccccc1-2)C(C)=O.
What is the InChIKey of (3S)-4-(9H-fluoren-2-yl)-3-(methylamino)butan-2-one?
The InChIKey is JGDAQTGSJFUBFY-SFHVURJKSA-N. The full InChI is InChI=1S/C18H19NO/c1-12(20)18(19-2)10-13-7-8-17-15(9-13)11-14-5-3-4-6-16(14)17/h3-9,18-19H,10-11H2,1-2H3/t18-/m0/s1.
What are the key properties of (3S)-4-(9H-fluoren-2-yl)-3-(methylamino)butan-2-one?
(3S)-4-(9H-fluoren-2-yl)-3-(methylamino)butan-2-one has a molecular weight of 265.36 g/mol, XLogP of 2.98, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-4-(9H-fluoren-2-yl)-3-(methylamino)butan-2-one is sourced from PubChem (CID 58904352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).