3-(2-methylanilino)butan-2-one

C11H15NO — CID 14026537

IUPAC3-(2-methylanilino)butan-2-one
SMILESCC(=O)C(C)Nc1ccccc1C
InChIInChI=1S/C11H15NO/c1-8-6-4-5-7-11(8)12-9(2)10(3)13/h4-7,9,12H,1-3H3
InChIKeyYOTOFWKYPJLZBR-UHFFFAOYSA-N
MW177.25 g/mol
LogP2.38
Rot. Bonds3

About 3-(2-methylanilino)butan-2-one

3-(2-methylanilino)butan-2-one (PubChem CID 14026537) has the molecular formula C11H15NO and a molecular weight of 177.25 g/mol. Its IUPAC name is 3-(2-methylanilino)butan-2-one.

Molecular Properties

Compound Name3-(2-methylanilino)butan-2-one
PubChem CID14026537
Molecular FormulaC11H15NO
Molecular Weight177.25 g/mol
Exact Mass177.12
IUPAC Name3-(2-methylanilino)butan-2-one
SMILESCC(=O)C(C)Nc1ccccc1C
InChIInChI=1S/C11H15NO/c1-8-6-4-5-7-11(8)12-9(2)10(3)13/h4-7,9,12H,1-3H3
InChIKeyYOTOFWKYPJLZBR-UHFFFAOYSA-N
XLogP2.38
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-methylanilino)propanehydrazide
CID 23833506
2-(2,3-dimethylanilino)propanoic acid
CID 13138172
2-(2-methylanilino)-N-pentylpropanamide
CID 43113317
3-methyl-2-(2-methylanilino)butanamide
CID 60679565
methyl 3-methyl-2-(2-methylanilino)but-3-enoate
CID 114784500
N-(2-methylphenyl)-2-oxopropanamide
CID 82125210
ethane;(3S)-3-[(2-methylphenyl)methylamino]butan-2-one
CID 90780067
2-(2-aminoanilino)propanoic acid
CID 67237083
2-chloro-N-(2-methylphenyl)propanamide
CID 3858908
(2S)-2-(3-acetamidoanilino)-N-(2-methylphenyl)propanamide
CID 25354903
2-(2-methylanilino)-N-[(Z)-(5-methylfuran-2-yl)methylideneamino]propanamide
CID 6178020
N-(2-methylphenyl)-2-(propan-2-ylamino)benzamide
CID 63107622

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylanilino)butan-2-one?
The IUPAC name of 3-(2-methylanilino)butan-2-one (CID 14026537) is 3-(2-methylanilino)butan-2-one.
What is the SMILES notation for 3-(2-methylanilino)butan-2-one?
The canonical SMILES for 3-(2-methylanilino)butan-2-one is CC(=O)C(C)Nc1ccccc1C.
What is the InChIKey of 3-(2-methylanilino)butan-2-one?
The InChIKey is YOTOFWKYPJLZBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO/c1-8-6-4-5-7-11(8)12-9(2)10(3)13/h4-7,9,12H,1-3H3.
What are the key properties of 3-(2-methylanilino)butan-2-one?
3-(2-methylanilino)butan-2-one has a molecular weight of 177.25 g/mol, XLogP of 2.38, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylanilino)butan-2-one is sourced from PubChem (CID 14026537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).