2-(methylamino)-1-(2-propan-2-ylphenyl)ethanone

C12H17NO — CID 82604179

IUPAC2-(methylamino)-1-(2-propan-2-ylphenyl)ethanone
SMILESCNCC(=O)c1ccccc1C(C)C
InChIInChI=1S/C12H17NO/c1-9(2)10-6-4-5-7-11(10)12(14)8-13-3/h4-7,9,13H,8H2,1-3H3
InChIKeyZDNDYVMWVLBFQE-UHFFFAOYSA-N
MW191.27 g/mol
LogP2.21
Rot. Bonds4

About 2-(methylamino)-1-(2-propan-2-ylphenyl)ethanone

2-(methylamino)-1-(2-propan-2-ylphenyl)ethanone (PubChem CID 82604179) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is 2-(methylamino)-1-(2-propan-2-ylphenyl)ethanone.

Molecular Properties

Compound Name2-(methylamino)-1-(2-propan-2-ylphenyl)ethanone
PubChem CID82604179
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Name2-(methylamino)-1-(2-propan-2-ylphenyl)ethanone
SMILESCNCC(=O)c1ccccc1C(C)C
InChIInChI=1S/C12H17NO/c1-9(2)10-6-4-5-7-11(10)12(14)8-13-3/h4-7,9,13H,8H2,1-3H3
InChIKeyZDNDYVMWVLBFQE-UHFFFAOYSA-N
XLogP2.21
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-1-(2-propan-2-ylphenyl)ethanone?
The IUPAC name of 2-(methylamino)-1-(2-propan-2-ylphenyl)ethanone (CID 82604179) is 2-(methylamino)-1-(2-propan-2-ylphenyl)ethanone.
What is the SMILES notation for 2-(methylamino)-1-(2-propan-2-ylphenyl)ethanone?
The canonical SMILES for 2-(methylamino)-1-(2-propan-2-ylphenyl)ethanone is CNCC(=O)c1ccccc1C(C)C.
What is the InChIKey of 2-(methylamino)-1-(2-propan-2-ylphenyl)ethanone?
The InChIKey is ZDNDYVMWVLBFQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO/c1-9(2)10-6-4-5-7-11(10)12(14)8-13-3/h4-7,9,13H,8H2,1-3H3.
What are the key properties of 2-(methylamino)-1-(2-propan-2-ylphenyl)ethanone?
2-(methylamino)-1-(2-propan-2-ylphenyl)ethanone has a molecular weight of 191.27 g/mol, XLogP of 2.21, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-1-(2-propan-2-ylphenyl)ethanone is sourced from PubChem (CID 82604179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).