(3S)-3-(methylamino)-4-naphthalen-2-ylbutan-2-one

C15H17NO — CID 59966001

IUPAC(3S)-3-(methylamino)-4-naphthalen-2-ylbutan-2-one
SMILESCN[C@@H](Cc1ccc2ccccc2c1)C(C)=O
InChIInChI=1S/C15H17NO/c1-11(17)15(16-2)10-12-7-8-13-5-3-4-6-14(13)9-12/h3-9,15-16H,10H2,1-2H3/t15-/m0/s1
InChIKeyISMFBGUGCDQQJI-HNNXBMFYSA-N
MW227.31 g/mol
LogP2.56
Rot. Bonds4

About (3S)-3-(methylamino)-4-naphthalen-2-ylbutan-2-one

(3S)-3-(methylamino)-4-naphthalen-2-ylbutan-2-one (PubChem CID 59966001) has the molecular formula C15H17NO and a molecular weight of 227.31 g/mol. Its IUPAC name is (3S)-3-(methylamino)-4-naphthalen-2-ylbutan-2-one.

Molecular Properties

Compound Name(3S)-3-(methylamino)-4-naphthalen-2-ylbutan-2-one
PubChem CID59966001
Molecular FormulaC15H17NO
Molecular Weight227.31 g/mol
Exact Mass227.13
IUPAC Name(3S)-3-(methylamino)-4-naphthalen-2-ylbutan-2-one
SMILESCN[C@@H](Cc1ccc2ccccc2c1)C(C)=O
InChIInChI=1S/C15H17NO/c1-11(17)15(16-2)10-12-7-8-13-5-3-4-6-14(13)9-12/h3-9,15-16H,10H2,1-2H3/t15-/m0/s1
InChIKeyISMFBGUGCDQQJI-HNNXBMFYSA-N
XLogP2.56
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-(methylamino)-4-naphthalen-2-ylbutan-2-one?
The IUPAC name of (3S)-3-(methylamino)-4-naphthalen-2-ylbutan-2-one (CID 59966001) is (3S)-3-(methylamino)-4-naphthalen-2-ylbutan-2-one.
What is the SMILES notation for (3S)-3-(methylamino)-4-naphthalen-2-ylbutan-2-one?
The canonical SMILES for (3S)-3-(methylamino)-4-naphthalen-2-ylbutan-2-one is CN[C@@H](Cc1ccc2ccccc2c1)C(C)=O.
What is the InChIKey of (3S)-3-(methylamino)-4-naphthalen-2-ylbutan-2-one?
The InChIKey is ISMFBGUGCDQQJI-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H17NO/c1-11(17)15(16-2)10-12-7-8-13-5-3-4-6-14(13)9-12/h3-9,15-16H,10H2,1-2H3/t15-/m0/s1.
What are the key properties of (3S)-3-(methylamino)-4-naphthalen-2-ylbutan-2-one?
(3S)-3-(methylamino)-4-naphthalen-2-ylbutan-2-one has a molecular weight of 227.31 g/mol, XLogP of 2.56, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(methylamino)-4-naphthalen-2-ylbutan-2-one is sourced from PubChem (CID 59966001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).