4-[2,3-dimethyl-5-(methylamino)phenyl]butan-2-one

C13H19NO — CID 144767971

IUPAC4-[2,3-dimethyl-5-(methylamino)phenyl]butan-2-one
SMILESCNc1cc(C)c(C)c(CCC(C)=O)c1
InChIInChI=1S/C13H19NO/c1-9-7-13(14-4)8-12(11(9)3)6-5-10(2)15/h7-8,14H,5-6H2,1-4H3
InChIKeyRVDHYUSYPPRFCI-UHFFFAOYSA-N
MW205.30 g/mol
LogP2.87
Rot. Bonds4

About 4-[2,3-dimethyl-5-(methylamino)phenyl]butan-2-one

4-[2,3-dimethyl-5-(methylamino)phenyl]butan-2-one (PubChem CID 144767971) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is 4-[2,3-dimethyl-5-(methylamino)phenyl]butan-2-one.

Molecular Properties

Compound Name4-[2,3-dimethyl-5-(methylamino)phenyl]butan-2-one
PubChem CID144767971
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name4-[2,3-dimethyl-5-(methylamino)phenyl]butan-2-one
SMILESCNc1cc(C)c(C)c(CCC(C)=O)c1
InChIInChI=1S/C13H19NO/c1-9-7-13(14-4)8-12(11(9)3)6-5-10(2)15/h7-8,14H,5-6H2,1-4H3
InChIKeyRVDHYUSYPPRFCI-UHFFFAOYSA-N
XLogP2.87
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[2,3-dimethyl-5-(methylamino)phenyl]butan-2-one?
The IUPAC name of 4-[2,3-dimethyl-5-(methylamino)phenyl]butan-2-one (CID 144767971) is 4-[2,3-dimethyl-5-(methylamino)phenyl]butan-2-one.
What is the SMILES notation for 4-[2,3-dimethyl-5-(methylamino)phenyl]butan-2-one?
The canonical SMILES for 4-[2,3-dimethyl-5-(methylamino)phenyl]butan-2-one is CNc1cc(C)c(C)c(CCC(C)=O)c1.
What is the InChIKey of 4-[2,3-dimethyl-5-(methylamino)phenyl]butan-2-one?
The InChIKey is RVDHYUSYPPRFCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO/c1-9-7-13(14-4)8-12(11(9)3)6-5-10(2)15/h7-8,14H,5-6H2,1-4H3.
What are the key properties of 4-[2,3-dimethyl-5-(methylamino)phenyl]butan-2-one?
4-[2,3-dimethyl-5-(methylamino)phenyl]butan-2-one has a molecular weight of 205.30 g/mol, XLogP of 2.87, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2,3-dimethyl-5-(methylamino)phenyl]butan-2-one is sourced from PubChem (CID 144767971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).